----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:50:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.310168150026410 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): *1 O 0.34664535275718 0.90861800345434 0.87105195747793 15.999 2 O 0.65335464724282 0.40861800345434 0.62894804252207 15.999 3 O 0.65335464724282 0.09138199654566 0.12894804252207 15.999 4 O 0.34664535275718 0.59138199654566 0.37105195747793 15.999 *5 O 0.89844219465433 0.52099625734048 0.86242498647219 15.999 6 O 0.10155780534567 0.02099625734048 0.63757501352781 15.999 7 O 0.10155780534567 0.47900374265952 0.13757501352781 15.999 8 O 0.89844219465433 0.97900374265952 0.36242498647219 15.999 *9 O 0.50411494454782 0.89606328499688 0.19252534830455 15.999 10 O 0.49588505545218 0.39606328499688 0.30747465169545 15.999 11 O 0.49588505545218 0.10393671500312 0.80747465169545 15.999 12 O 0.50411494454782 0.60393671500312 0.69252534830455 15.999 *13 O 0.80233795105150 0.60641113084750 0.62104082071854 15.999 14 O 0.19766204894850 0.10641113084750 0.87895917928146 15.999 15 O 0.19766204894850 0.39358886915250 0.37895917928146 15.999 16 O 0.80233795105150 0.89358886915250 0.12104082071854 15.999 *17 O 0.48475087743590 0.64504724821522 0.19649862304147 15.999 *18 O 0.10486559068482 0.72555369250712 0.61862977511797 15.999 19 O 0.89513440931518 0.27444630749288 0.38137022488203 15.999 20 O 0.10486559068482 0.77444630749288 0.11862977511797 15.999 *21 O 0.71307620311097 0.82066652888485 0.48213501055109 15.999 22 O 0.28692379688902 0.32066652888485 0.01786498944891 15.999 23 O 0.28692379688902 0.17933347111515 0.51786498944891 15.999 24 O 0.71307620311097 0.67933347111515 0.98213501055109 15.999 *25 O 0.88819447717012 0.82091643335224 0.73255303319174 15.999 26 O 0.11180552282988 0.32091643335224 0.76744696680826 15.999 27 O 0.11180552282988 0.17908356664776 0.26744696680826 15.999 28 O 0.88819447717012 0.67908356664776 0.23255303319174 15.999 *29 O 0.35166834991523 0.97571560787965 0.36351273909914 15.999 30 O 0.64833165008477 0.47571560787966 0.13648726090086 15.999 31 O 0.64833165008477 0.02428439212034 0.63648726090086 15.999 32 O 0.35166834991523 0.52428439212035 0.86351273909914 15.999 *33 O 0.85060502766560 0.94914323259002 0.89341260868260 15.999 34 O 0.14939497233440 0.44914323259002 0.60658739131740 15.999 35 O 0.14939497233440 0.05085676740998 0.10658739131740 15.999 36 O 0.85060502766560 0.55085676740998 0.39341260868260 15.999 37 O 0.48475087743590 0.85495275178478 0.69649862304147 15.999 38 O 0.51524912256411 0.35495275178477 0.80350137695853 15.999 39 O 0.51524912256411 0.14504724821522 0.30350137695853 15.999 40 O 0.89513440931518 0.22555369250712 0.88137022488203 15.999 *41 F 0.75639863950177 0.28569073725624 0.06066966707474 18.998 42 F 0.24360136049823 0.78569073725624 0.43933033292526 18.998 43 F 0.75639863950177 0.21430926274376 0.56066966707474 18.998 44 F 0.24360136049823 0.71430926274376 0.93933033292526 18.998 *45 Si 0.71371948108669 0.53605146839383 0.70872356023533 28.085 *46 Si 0.12219378270072 0.24411259840365 0.89023389584411 28.085 47 Si 0.12219378270072 0.25588740159635 0.39023389584411 28.085 48 Si 0.87780621729928 0.75588740159635 0.10976610415589 28.085 *49 Si 0.71503564722114 0.58723745003086 0.24102123873303 28.085 50 Si 0.28496435277886 0.08723745003086 0.25897876126697 28.085 51 Si 0.28496435277886 0.41276254996914 0.75897876126697 28.085 52 Si 0.71503564722114 0.91276254996914 0.74102123873303 28.085 53 Si 0.71371948108669 0.96394853160617 0.20872356023533 28.085 54 Si 0.28628051891331 0.46394853160617 0.29127643976467 28.085 55 Si 0.87780621729928 0.74411259840365 0.60976610415589 28.085 56 Si 0.28628051891331 0.03605146839383 0.79127643976467 28.085 *57 Dy 0.25672011680550 0.53139259866036 0.01910567470719 162.500 58 Dy 0.74327988319450 0.03139259866036 0.48089432529281 162.500 59 Dy 0.74327988319450 0.46860740133964 0.98089432529281 162.500 60 Dy 0.25672011680550 0.96860740133964 0.51910567470719 162.500 *61 Dy 0.40340490420909 0.77272627190733 0.31125929886784 162.500 62 Dy 0.59659509579091 0.27272627190733 0.18874070113216 162.500 63 Dy 0.59659509579091 0.22727372809267 0.68874070113216 162.500 64 Dy 0.40340490420909 0.72727372809267 0.81125929886784 162.500 *65 Dy 0.19476972188786 0.90212203327658 0.99546480048960 162.500 66 Dy 0.80523027811214 0.40212203327658 0.50453519951040 162.500 67 Dy 0.80523027811214 0.09787796672342 0.00453519951040 162.500 68 Dy 0.19476972188786 0.59787796672342 0.49546480048960 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.310168150026410 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): *1 O 0.34664535275718 0.90861800345434 0.87105195747793 15.999 > 1 2 O 0.65335464724282 0.40861800345434 0.62894804252207 15.999 > 2 3 O 0.65335464724282 0.09138199654566 0.12894804252207 15.999 > 3 4 O 0.34664535275718 0.59138199654566 0.37105195747793 15.999 > 4 *5 O 0.89844219465433 0.52099625734048 0.86242498647219 15.999 > 5 6 O 0.10155780534567 0.02099625734048 0.63757501352781 15.999 > 6 7 O 0.10155780534567 0.47900374265952 0.13757501352781 15.999 > 7 8 O 0.89844219465433 0.97900374265952 0.36242498647219 15.999 > 8 *9 O 0.50411494454782 0.89606328499688 0.19252534830455 15.999 > 9 10 O 0.49588505545218 0.39606328499688 0.30747465169545 15.999 > 10 11 O 0.49588505545218 0.10393671500312 0.80747465169545 15.999 > 11 12 O 0.50411494454782 0.60393671500312 0.69252534830455 15.999 > 12 *13 O 0.80233795105150 0.60641113084750 0.62104082071854 15.999 > 13 14 O 0.19766204894850 0.10641113084750 0.87895917928146 15.999 > 14 15 O 0.19766204894850 0.39358886915250 0.37895917928146 15.999 > 15 16 O 0.80233795105150 0.89358886915250 0.12104082071854 15.999 > 16 *17 O 0.48475087743590 0.64504724821522 0.19649862304147 15.999 > 17 *18 O 0.10486559068482 0.72555369250712 0.61862977511797 15.999 > 18 19 O 0.89513440931518 0.27444630749288 0.38137022488203 15.999 > 19 20 O 0.10486559068482 0.77444630749288 0.11862977511797 15.999 > 20 *21 O 0.71307620311097 0.82066652888485 0.48213501055109 15.999 > 21 22 O 0.28692379688902 0.32066652888485 0.01786498944891 15.999 > 22 23 O 0.28692379688902 0.17933347111515 0.51786498944891 15.999 > 23 24 O 0.71307620311097 0.67933347111515 0.98213501055109 15.999 > 24 *25 O 0.88819447717012 0.82091643335224 0.73255303319174 15.999 > 25 26 O 0.11180552282988 0.32091643335224 0.76744696680826 15.999 > 26 27 O 0.11180552282988 0.17908356664776 0.26744696680826 15.999 > 27 28 O 0.88819447717012 0.67908356664776 0.23255303319174 15.999 > 28 *29 O 0.35166834991523 0.97571560787965 0.36351273909914 15.999 > 29 30 O 0.64833165008477 0.47571560787966 0.13648726090086 15.999 > 30 31 O 0.64833165008477 0.02428439212034 0.63648726090086 15.999 > 31 32 O 0.35166834991523 0.52428439212035 0.86351273909914 15.999 > 32 *33 O 0.85060502766560 0.94914323259002 0.89341260868260 15.999 > 33 34 O 0.14939497233440 0.44914323259002 0.60658739131740 15.999 > 34 35 O 0.14939497233440 0.05085676740998 0.10658739131740 15.999 > 35 36 O 0.85060502766560 0.55085676740998 0.39341260868260 15.999 > 36 37 O 0.48475087743590 0.85495275178478 0.69649862304147 15.999 > 37 38 O 0.51524912256411 0.35495275178477 0.80350137695853 15.999 > 38 39 O 0.51524912256411 0.14504724821522 0.30350137695853 15.999 > 39 40 O 0.89513440931518 0.22555369250712 0.88137022488203 15.999 > 40 *41 F 0.75639863950177 0.28569073725624 0.06066966707474 18.998 > 41 42 F 0.24360136049823 0.78569073725624 0.43933033292526 18.998 > 42 43 F 0.75639863950177 0.21430926274376 0.56066966707474 18.998 > 43 44 F 0.24360136049823 0.71430926274376 0.93933033292526 18.998 > 44 *45 Si 0.71371948108669 0.53605146839383 0.70872356023533 28.085 > 45 *46 Si 0.12219378270072 0.24411259840365 0.89023389584411 28.085 > 46 47 Si 0.12219378270072 0.25588740159635 0.39023389584411 28.085 > 47 48 Si 0.87780621729928 0.75588740159635 0.10976610415589 28.085 > 48 *49 Si 0.71503564722114 0.58723745003086 0.24102123873303 28.085 > 49 50 Si 0.28496435277886 0.08723745003086 0.25897876126697 28.085 > 50 51 Si 0.28496435277886 0.41276254996914 0.75897876126697 28.085 > 51 52 Si 0.71503564722114 0.91276254996914 0.74102123873303 28.085 > 52 53 Si 0.71371948108669 0.96394853160617 0.20872356023533 28.085 > 53 54 Si 0.28628051891331 0.46394853160617 0.29127643976467 28.085 > 54 55 Si 0.87780621729928 0.74411259840365 0.60976610415589 28.085 > 55 56 Si 0.28628051891331 0.03605146839383 0.79127643976467 28.085 > 56 *57 Dy 0.25672011680550 0.53139259866036 0.01910567470719 162.500 > 57 58 Dy 0.74327988319450 0.03139259866036 0.48089432529281 162.500 > 58 59 Dy 0.74327988319450 0.46860740133964 0.98089432529281 162.500 > 59 60 Dy 0.25672011680550 0.96860740133964 0.51910567470719 162.500 > 60 *61 Dy 0.40340490420909 0.77272627190733 0.31125929886784 162.500 > 61 62 Dy 0.59659509579091 0.27272627190733 0.18874070113216 162.500 > 62 63 Dy 0.59659509579091 0.22727372809267 0.68874070113216 162.500 > 63 64 Dy 0.40340490420909 0.72727372809267 0.81125929886784 162.500 > 64 *65 Dy 0.19476972188786 0.90212203327658 0.99546480048960 162.500 > 65 66 Dy 0.80523027811214 0.40212203327658 0.50453519951040 162.500 > 66 67 Dy 0.80523027811214 0.09787796672342 0.00453519951040 162.500 > 67 68 Dy 0.19476972188786 0.59787796672342 0.49546480048960 162.500 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.620336300052820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): *1 O 0.17332267637859 0.90861800345434 0.87105195747793 15.999 > 1 2 O 0.67332267637859 0.90861800345434 0.87105195747793 15.999 > 1 3 O 0.32667732362141 0.40861800345434 0.62894804252207 15.999 > 2 4 O 0.82667732362141 0.40861800345434 0.62894804252207 15.999 > 2 5 O 0.32667732362141 0.09138199654566 0.12894804252207 15.999 > 3 6 O 0.82667732362141 0.09138199654566 0.12894804252207 15.999 > 3 7 O 0.17332267637859 0.59138199654566 0.37105195747793 15.999 > 4 8 O 0.67332267637859 0.59138199654566 0.37105195747793 15.999 > 4 *9 O 0.44922109732717 0.52099625734048 0.86242498647219 15.999 > 5 10 O 0.94922109732717 0.52099625734048 0.86242498647219 15.999 > 5 11 O 0.05077890267283 0.02099625734048 0.63757501352781 15.999 > 6 12 O 0.55077890267283 0.02099625734048 0.63757501352781 15.999 > 6 13 O 0.05077890267283 0.47900374265952 0.13757501352781 15.999 > 7 14 O 0.55077890267283 0.47900374265952 0.13757501352781 15.999 > 7 15 O 0.44922109732717 0.97900374265952 0.36242498647219 15.999 > 8 16 O 0.94922109732717 0.97900374265952 0.36242498647219 15.999 > 8 *17 O 0.25205747227391 0.89606328499688 0.19252534830455 15.999 > 9 18 O 0.75205747227391 0.89606328499688 0.19252534830455 15.999 > 9 19 O 0.24794252772609 0.39606328499688 0.30747465169545 15.999 > 10 20 O 0.74794252772609 0.39606328499688 0.30747465169545 15.999 > 10 21 O 0.24794252772609 0.10393671500312 0.80747465169545 15.999 > 11 22 O 0.74794252772609 0.10393671500312 0.80747465169545 15.999 > 11 23 O 0.25205747227391 0.60393671500312 0.69252534830455 15.999 > 12 24 O 0.75205747227391 0.60393671500312 0.69252534830455 15.999 > 12 *25 O 0.40116897552575 0.60641113084750 0.62104082071854 15.999 > 13 26 O 0.90116897552575 0.60641113084750 0.62104082071854 15.999 > 13 27 O 0.09883102447425 0.10641113084750 0.87895917928146 15.999 > 14 28 O 0.59883102447425 0.10641113084750 0.87895917928146 15.999 > 14 29 O 0.09883102447425 0.39358886915250 0.37895917928146 15.999 > 15 30 O 0.59883102447425 0.39358886915250 0.37895917928146 15.999 > 15 31 O 0.40116897552575 0.89358886915250 0.12104082071854 15.999 > 16 32 O 0.90116897552575 0.89358886915250 0.12104082071854 15.999 > 16 *33 O 0.24237543871795 0.64504724821522 0.19649862304147 15.999 > 17 34 O 0.74237543871795 0.64504724821522 0.19649862304147 15.999 > 17 *35 O 0.05243279534241 0.72555369250712 0.61862977511797 15.999 > 18 36 O 0.55243279534241 0.72555369250712 0.61862977511797 15.999 > 18 37 O 0.44756720465759 0.27444630749288 0.38137022488203 15.999 > 19 38 O 0.94756720465759 0.27444630749288 0.38137022488203 15.999 > 19 39 O 0.05243279534241 0.77444630749288 0.11862977511797 15.999 > 20 40 O 0.55243279534241 0.77444630749288 0.11862977511797 15.999 > 20 *41 O 0.35653810155549 0.82066652888485 0.48213501055109 15.999 > 21 42 O 0.85653810155549 0.82066652888485 0.48213501055109 15.999 > 21 43 O 0.14346189844451 0.32066652888485 0.01786498944891 15.999 > 22 44 O 0.64346189844451 0.32066652888485 0.01786498944891 15.999 > 22 45 O 0.14346189844451 0.17933347111515 0.51786498944891 15.999 > 23 46 O 0.64346189844451 0.17933347111515 0.51786498944891 15.999 > 23 47 O 0.35653810155549 0.67933347111515 0.98213501055109 15.999 > 24 48 O 0.85653810155549 0.67933347111515 0.98213501055109 15.999 > 24 *49 O 0.44409723858506 0.82091643335224 0.73255303319174 15.999 > 25 50 O 0.94409723858506 0.82091643335224 0.73255303319174 15.999 > 25 51 O 0.05590276141494 0.32091643335224 0.76744696680826 15.999 > 26 52 O 0.55590276141494 0.32091643335224 0.76744696680826 15.999 > 26 53 O 0.05590276141494 0.17908356664776 0.26744696680826 15.999 > 27 54 O 0.55590276141494 0.17908356664776 0.26744696680826 15.999 > 27 55 O 0.44409723858506 0.67908356664776 0.23255303319174 15.999 > 28 56 O 0.94409723858506 0.67908356664776 0.23255303319174 15.999 > 28 *57 O 0.17583417495762 0.97571560787965 0.36351273909914 15.999 > 29 58 O 0.67583417495762 0.97571560787965 0.36351273909914 15.999 > 29 59 O 0.32416582504238 0.47571560787966 0.13648726090086 15.999 > 30 60 O 0.82416582504238 0.47571560787966 0.13648726090086 15.999 > 30 61 O 0.32416582504238 0.02428439212034 0.63648726090086 15.999 > 31 62 O 0.82416582504238 0.02428439212034 0.63648726090086 15.999 > 31 63 O 0.17583417495762 0.52428439212035 0.86351273909914 15.999 > 32 64 O 0.67583417495762 0.52428439212035 0.86351273909914 15.999 > 32 *65 O 0.42530251383280 0.94914323259002 0.89341260868260 15.999 > 33 66 O 0.92530251383280 0.94914323259002 0.89341260868260 15.999 > 33 67 O 0.07469748616720 0.44914323259002 0.60658739131740 15.999 > 34 68 O 0.57469748616720 0.44914323259002 0.60658739131740 15.999 > 34 69 O 0.07469748616720 0.05085676740998 0.10658739131740 15.999 > 35 70 O 0.57469748616720 0.05085676740998 0.10658739131740 15.999 > 35 71 O 0.42530251383280 0.55085676740998 0.39341260868260 15.999 > 36 72 O 0.92530251383280 0.55085676740998 0.39341260868260 15.999 > 36 73 O 0.24237543871795 0.85495275178478 0.69649862304147 15.999 > 37 74 O 0.74237543871795 0.85495275178478 0.69649862304147 15.999 > 37 75 O 0.25762456128205 0.35495275178477 0.80350137695853 15.999 > 38 76 O 0.75762456128205 0.35495275178477 0.80350137695853 15.999 > 38 77 O 0.25762456128205 0.14504724821522 0.30350137695853 15.999 > 39 78 O 0.75762456128205 0.14504724821522 0.30350137695853 15.999 > 39 79 O 0.44756720465759 0.22555369250712 0.88137022488203 15.999 > 40 80 O 0.94756720465759 0.22555369250712 0.88137022488203 15.999 > 40 *81 F 0.37819931975089 0.28569073725624 0.06066966707474 18.998 > 41 82 F 0.87819931975089 0.28569073725624 0.06066966707474 18.998 > 41 83 F 0.12180068024911 0.78569073725624 0.43933033292526 18.998 > 42 84 F 0.62180068024911 0.78569073725624 0.43933033292526 18.998 > 42 85 F 0.37819931975089 0.21430926274376 0.56066966707474 18.998 > 43 86 F 0.87819931975089 0.21430926274376 0.56066966707474 18.998 > 43 87 F 0.12180068024911 0.71430926274376 0.93933033292526 18.998 > 44 88 F 0.62180068024911 0.71430926274376 0.93933033292526 18.998 > 44 *89 Si 0.35685974054335 0.53605146839383 0.70872356023533 28.085 > 45 90 Si 0.85685974054335 0.53605146839383 0.70872356023533 28.085 > 45 *91 Si 0.06109689135036 0.24411259840365 0.89023389584411 28.085 > 46 92 Si 0.56109689135036 0.24411259840365 0.89023389584411 28.085 > 46 93 Si 0.06109689135036 0.25588740159635 0.39023389584411 28.085 > 47 94 Si 0.56109689135036 0.25588740159635 0.39023389584411 28.085 > 47 95 Si 0.43890310864964 0.75588740159635 0.10976610415589 28.085 > 48 96 Si 0.93890310864964 0.75588740159635 0.10976610415589 28.085 > 48 *97 Si 0.35751782361057 0.58723745003086 0.24102123873303 28.085 > 49 98 Si 0.85751782361057 0.58723745003086 0.24102123873303 28.085 > 49 99 Si 0.14248217638943 0.08723745003086 0.25897876126697 28.085 > 50 100 Si 0.64248217638943 0.08723745003086 0.25897876126697 28.085 > 50 101 Si 0.14248217638943 0.41276254996914 0.75897876126697 28.085 > 51 102 Si 0.64248217638943 0.41276254996914 0.75897876126697 28.085 > 51 103 Si 0.35751782361057 0.91276254996914 0.74102123873303 28.085 > 52 104 Si 0.85751782361057 0.91276254996914 0.74102123873303 28.085 > 52 105 Si 0.35685974054335 0.96394853160617 0.20872356023533 28.085 > 53 106 Si 0.85685974054335 0.96394853160617 0.20872356023533 28.085 > 53 107 Si 0.14314025945666 0.46394853160617 0.29127643976467 28.085 > 54 108 Si 0.64314025945665 0.46394853160617 0.29127643976467 28.085 > 54 109 Si 0.43890310864964 0.74411259840365 0.60976610415589 28.085 > 55 110 Si 0.93890310864964 0.74411259840365 0.60976610415589 28.085 > 55 111 Si 0.14314025945666 0.03605146839383 0.79127643976467 28.085 > 56 112 Si 0.64314025945665 0.03605146839383 0.79127643976467 28.085 > 56 *113 Dy 0.12836005840275 0.53139259866036 0.01910567470719 162.500 > 57 114 Dy 0.62836005840275 0.53139259866036 0.01910567470719 162.500 > 57 115 Dy 0.37163994159725 0.03139259866036 0.48089432529281 162.500 > 58 116 Dy 0.87163994159725 0.03139259866036 0.48089432529281 162.500 > 58 117 Dy 0.37163994159725 0.46860740133964 0.98089432529281 162.500 > 59 118 Dy 0.87163994159725 0.46860740133964 0.98089432529281 162.500 > 59 119 Dy 0.12836005840275 0.96860740133964 0.51910567470719 162.500 > 60 120 Dy 0.62836005840275 0.96860740133964 0.51910567470719 162.500 > 60 *121 Dy 0.20170245210455 0.77272627190733 0.31125929886784 162.500 > 61 122 Dy 0.70170245210455 0.77272627190733 0.31125929886784 162.500 > 61 123 Dy 0.29829754789545 0.27272627190733 0.18874070113216 162.500 > 62 124 Dy 0.79829754789545 0.27272627190733 0.18874070113216 162.500 > 62 125 Dy 0.29829754789545 0.22727372809267 0.68874070113216 162.500 > 63 126 Dy 0.79829754789545 0.22727372809267 0.68874070113216 162.500 > 63 127 Dy 0.20170245210455 0.72727372809267 0.81125929886784 162.500 > 64 128 Dy 0.70170245210455 0.72727372809267 0.81125929886784 162.500 > 64 *129 Dy 0.09738486094393 0.90212203327658 0.99546480048960 162.500 > 65 130 Dy 0.59738486094393 0.90212203327658 0.99546480048960 162.500 > 65 131 Dy 0.40261513905607 0.40212203327658 0.50453519951040 162.500 > 66 132 Dy 0.90261513905607 0.40212203327658 0.50453519951040 162.500 > 66 133 Dy 0.40261513905607 0.09787796672342 0.00453519951040 162.500 > 67 134 Dy 0.90261513905607 0.09787796672342 0.00453519951040 162.500 > 67 135 Dy 0.09738486094393 0.59787796672342 0.49546480048960 162.500 > 68 136 Dy 0.59738486094393 0.59787796672342 0.49546480048960 162.500 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3249202 0.0000000 -0.0002564 0.0000000 3.2457419 0.0000000 -0.0002555 0.0000000 3.3824190 -------------------------- Born effective charges -------------------------- 1 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 2 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 3 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 4 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 5 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 6 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 7 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 8 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 9 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 10 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 11 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 12 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 13 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 14 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 15 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 16 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 17 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 18 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 19 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 20 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 21 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 22 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 23 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 24 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 25 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 26 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 27 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 28 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 29 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 30 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 31 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 32 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 33 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 34 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 35 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 36 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 37 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 38 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 39 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 40 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 41 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 42 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 43 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 44 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 45 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 46 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 47 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 48 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 49 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 50 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 51 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 52 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 53 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 54 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 55 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 56 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 57 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 58 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 59 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 60 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 61 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 62 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 63 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 64 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 65 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 66 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 67 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 68 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.789 Solver_block: 200 / 2080 - Time: 3.293 Solver_block: 300 / 2080 - Time: 3.284 Solver_block: 400 / 2080 - Time: 3.245 Solver_block: 500 / 2080 - Time: 3.264 Solver_block: 600 / 2080 - Time: 3.286 Solver_block: 700 / 2080 - Time: 3.290 Solver_block: 800 / 2080 - Time: 3.229 Solver_block: 900 / 2080 - Time: 3.326 Solver_block: 1000 / 2080 - Time: 3.251 Solver_block: 1100 / 2080 - Time: 3.301 Solver_block: 1200 / 2080 - Time: 3.332 Solver_block: 1300 / 2080 - Time: 3.221 Solver_block: 1400 / 2080 - Time: 3.296 Solver_block: 1500 / 2080 - Time: 3.219 Solver_block: 1600 / 2080 - Time: 3.304 Solver_block: 1700 / 2080 - Time: 3.271 Solver_block: 1800 / 2080 - Time: 3.305 Solver_block: 1900 / 2080 - Time: 3.253 Solver_block: 2000 / 2080 - Time: 3.231 Solver_block: 2080 / 2080 - Time: 2.640 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 70.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2312 / 2312 (1) 282 eigenvectors found. (1) Complementary block size: 151 (1) Compute compressed projector. (1) Use standard solver. (1) 117 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 117), data: (2312, 151) @ (151, 117) |-- (312, 282), data: True |-- (500, 470), data: False |-- (500, 14), data: (500, 44) @ (44, 14) |-- (250, 224), data: True |-- (250, 232), data: True |-- (500, 475), data: False |-- (500, 22), data: (500, 47) @ (47, 22) |-- (250, 228), data: True |-- (250, 225), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:53:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:53:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.310168150026410 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): 1 O 0.34664535275718 0.90861800345434 0.87105195747793 15.999 2 O 0.65335464724282 0.40861800345434 0.62894804252207 15.999 3 O 0.65335464724282 0.09138199654566 0.12894804252207 15.999 4 O 0.34664535275718 0.59138199654566 0.37105195747793 15.999 5 O 0.89844219465433 0.52099625734048 0.86242498647219 15.999 6 O 0.10155780534567 0.02099625734048 0.63757501352781 15.999 7 O 0.10155780534567 0.47900374265952 0.13757501352781 15.999 8 O 0.89844219465433 0.97900374265952 0.36242498647219 15.999 9 O 0.50411494454782 0.89606328499688 0.19252534830455 15.999 10 O 0.49588505545218 0.39606328499688 0.30747465169545 15.999 11 O 0.49588505545218 0.10393671500312 0.80747465169545 15.999 12 O 0.50411494454782 0.60393671500312 0.69252534830455 15.999 13 O 0.80233795105150 0.60641113084750 0.62104082071854 15.999 14 O 0.19766204894850 0.10641113084750 0.87895917928146 15.999 15 O 0.19766204894850 0.39358886915250 0.37895917928146 15.999 16 O 0.80233795105150 0.89358886915250 0.12104082071854 15.999 17 O 0.48475087743590 0.64504724821522 0.19649862304147 15.999 18 O 0.10486559068482 0.72555369250712 0.61862977511797 15.999 19 O 0.89513440931518 0.27444630749288 0.38137022488203 15.999 20 O 0.10486559068482 0.77444630749288 0.11862977511797 15.999 21 O 0.71307620311097 0.82066652888485 0.48213501055109 15.999 22 O 0.28692379688902 0.32066652888485 0.01786498944891 15.999 23 O 0.28692379688902 0.17933347111515 0.51786498944891 15.999 24 O 0.71307620311097 0.67933347111515 0.98213501055109 15.999 25 O 0.88819447717012 0.82091643335224 0.73255303319174 15.999 26 O 0.11180552282988 0.32091643335224 0.76744696680826 15.999 27 O 0.11180552282988 0.17908356664776 0.26744696680826 15.999 28 O 0.88819447717012 0.67908356664776 0.23255303319174 15.999 29 O 0.35166834991523 0.97571560787965 0.36351273909914 15.999 30 O 0.64833165008477 0.47571560787966 0.13648726090086 15.999 31 O 0.64833165008477 0.02428439212034 0.63648726090086 15.999 32 O 0.35166834991523 0.52428439212035 0.86351273909914 15.999 33 O 0.85060502766560 0.94914323259002 0.89341260868260 15.999 34 O 0.14939497233440 0.44914323259002 0.60658739131740 15.999 35 O 0.14939497233440 0.05085676740998 0.10658739131740 15.999 36 O 0.85060502766560 0.55085676740998 0.39341260868260 15.999 37 O 0.48475087743590 0.85495275178478 0.69649862304147 15.999 38 O 0.51524912256411 0.35495275178477 0.80350137695853 15.999 39 O 0.51524912256411 0.14504724821522 0.30350137695853 15.999 40 O 0.89513440931518 0.22555369250712 0.88137022488203 15.999 41 F 0.75639863950177 0.28569073725624 0.06066966707474 18.998 42 F 0.24360136049823 0.78569073725624 0.43933033292526 18.998 43 F 0.75639863950177 0.21430926274376 0.56066966707474 18.998 44 F 0.24360136049823 0.71430926274376 0.93933033292526 18.998 45 Si 0.71371948108669 0.53605146839383 0.70872356023533 28.085 46 Si 0.12219378270072 0.24411259840365 0.89023389584411 28.085 47 Si 0.12219378270072 0.25588740159635 0.39023389584411 28.085 48 Si 0.87780621729928 0.75588740159635 0.10976610415589 28.085 49 Si 0.71503564722114 0.58723745003086 0.24102123873303 28.085 50 Si 0.28496435277886 0.08723745003086 0.25897876126697 28.085 51 Si 0.28496435277886 0.41276254996914 0.75897876126697 28.085 52 Si 0.71503564722114 0.91276254996914 0.74102123873303 28.085 53 Si 0.71371948108669 0.96394853160617 0.20872356023533 28.085 54 Si 0.28628051891331 0.46394853160617 0.29127643976467 28.085 55 Si 0.87780621729928 0.74411259840365 0.60976610415589 28.085 56 Si 0.28628051891331 0.03605146839383 0.79127643976467 28.085 57 Dy 0.25672011680550 0.53139259866036 0.01910567470719 162.500 58 Dy 0.74327988319450 0.03139259866036 0.48089432529281 162.500 59 Dy 0.74327988319450 0.46860740133964 0.98089432529281 162.500 60 Dy 0.25672011680550 0.96860740133964 0.51910567470719 162.500 61 Dy 0.40340490420909 0.77272627190733 0.31125929886784 162.500 62 Dy 0.59659509579091 0.27272627190733 0.18874070113216 162.500 63 Dy 0.59659509579091 0.22727372809267 0.68874070113216 162.500 64 Dy 0.40340490420909 0.72727372809267 0.81125929886784 162.500 65 Dy 0.19476972188786 0.90212203327658 0.99546480048960 162.500 66 Dy 0.80523027811214 0.40212203327658 0.50453519951040 162.500 67 Dy 0.80523027811214 0.09787796672342 0.00453519951040 162.500 68 Dy 0.19476972188786 0.59787796672342 0.49546480048960 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.620336300052820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): 1 O 0.17332267637859 0.90861800345434 0.87105195747793 15.999 > 1 2 O 0.67332267637859 0.90861800345434 0.87105195747793 15.999 > 1 3 O 0.32667732362141 0.40861800345434 0.62894804252207 15.999 > 3 4 O 0.82667732362141 0.40861800345434 0.62894804252207 15.999 > 3 5 O 0.32667732362141 0.09138199654566 0.12894804252207 15.999 > 5 6 O 0.82667732362141 0.09138199654566 0.12894804252207 15.999 > 5 7 O 0.17332267637859 0.59138199654566 0.37105195747793 15.999 > 7 8 O 0.67332267637859 0.59138199654566 0.37105195747793 15.999 > 7 9 O 0.44922109732717 0.52099625734048 0.86242498647219 15.999 > 9 10 O 0.94922109732717 0.52099625734048 0.86242498647219 15.999 > 9 11 O 0.05077890267283 0.02099625734048 0.63757501352781 15.999 > 11 12 O 0.55077890267283 0.02099625734048 0.63757501352781 15.999 > 11 13 O 0.05077890267283 0.47900374265952 0.13757501352781 15.999 > 13 14 O 0.55077890267283 0.47900374265952 0.13757501352781 15.999 > 13 15 O 0.44922109732717 0.97900374265952 0.36242498647219 15.999 > 15 16 O 0.94922109732717 0.97900374265952 0.36242498647219 15.999 > 15 17 O 0.25205747227391 0.89606328499688 0.19252534830455 15.999 > 17 18 O 0.75205747227391 0.89606328499688 0.19252534830455 15.999 > 17 19 O 0.24794252772609 0.39606328499688 0.30747465169545 15.999 > 19 20 O 0.74794252772609 0.39606328499688 0.30747465169545 15.999 > 19 21 O 0.24794252772609 0.10393671500312 0.80747465169545 15.999 > 21 22 O 0.74794252772609 0.10393671500312 0.80747465169545 15.999 > 21 23 O 0.25205747227391 0.60393671500312 0.69252534830455 15.999 > 23 24 O 0.75205747227391 0.60393671500312 0.69252534830455 15.999 > 23 25 O 0.40116897552575 0.60641113084750 0.62104082071854 15.999 > 25 26 O 0.90116897552575 0.60641113084750 0.62104082071854 15.999 > 25 27 O 0.09883102447425 0.10641113084750 0.87895917928146 15.999 > 27 28 O 0.59883102447425 0.10641113084750 0.87895917928146 15.999 > 27 29 O 0.09883102447425 0.39358886915250 0.37895917928146 15.999 > 29 30 O 0.59883102447425 0.39358886915250 0.37895917928146 15.999 > 29 31 O 0.40116897552575 0.89358886915250 0.12104082071854 15.999 > 31 32 O 0.90116897552575 0.89358886915250 0.12104082071854 15.999 > 31 33 O 0.24237543871795 0.64504724821522 0.19649862304147 15.999 > 33 34 O 0.74237543871795 0.64504724821522 0.19649862304147 15.999 > 33 35 O 0.05243279534241 0.72555369250712 0.61862977511797 15.999 > 35 36 O 0.55243279534241 0.72555369250712 0.61862977511797 15.999 > 35 37 O 0.44756720465759 0.27444630749288 0.38137022488203 15.999 > 37 38 O 0.94756720465759 0.27444630749288 0.38137022488203 15.999 > 37 39 O 0.05243279534241 0.77444630749288 0.11862977511797 15.999 > 39 40 O 0.55243279534241 0.77444630749288 0.11862977511797 15.999 > 39 41 O 0.35653810155549 0.82066652888485 0.48213501055109 15.999 > 41 42 O 0.85653810155549 0.82066652888485 0.48213501055109 15.999 > 41 43 O 0.14346189844451 0.32066652888485 0.01786498944891 15.999 > 43 44 O 0.64346189844451 0.32066652888485 0.01786498944891 15.999 > 43 45 O 0.14346189844451 0.17933347111515 0.51786498944891 15.999 > 45 46 O 0.64346189844451 0.17933347111515 0.51786498944891 15.999 > 45 47 O 0.35653810155549 0.67933347111515 0.98213501055109 15.999 > 47 48 O 0.85653810155549 0.67933347111515 0.98213501055109 15.999 > 47 49 O 0.44409723858506 0.82091643335224 0.73255303319174 15.999 > 49 50 O 0.94409723858506 0.82091643335224 0.73255303319174 15.999 > 49 51 O 0.05590276141494 0.32091643335224 0.76744696680826 15.999 > 51 52 O 0.55590276141494 0.32091643335224 0.76744696680826 15.999 > 51 53 O 0.05590276141494 0.17908356664776 0.26744696680826 15.999 > 53 54 O 0.55590276141494 0.17908356664776 0.26744696680826 15.999 > 53 55 O 0.44409723858506 0.67908356664776 0.23255303319174 15.999 > 55 56 O 0.94409723858506 0.67908356664776 0.23255303319174 15.999 > 55 57 O 0.17583417495762 0.97571560787965 0.36351273909914 15.999 > 57 58 O 0.67583417495762 0.97571560787965 0.36351273909914 15.999 > 57 59 O 0.32416582504238 0.47571560787966 0.13648726090086 15.999 > 59 60 O 0.82416582504238 0.47571560787966 0.13648726090086 15.999 > 59 61 O 0.32416582504238 0.02428439212034 0.63648726090086 15.999 > 61 62 O 0.82416582504238 0.02428439212034 0.63648726090086 15.999 > 61 63 O 0.17583417495762 0.52428439212035 0.86351273909914 15.999 > 63 64 O 0.67583417495762 0.52428439212035 0.86351273909914 15.999 > 63 65 O 0.42530251383280 0.94914323259002 0.89341260868260 15.999 > 65 66 O 0.92530251383280 0.94914323259002 0.89341260868260 15.999 > 65 67 O 0.07469748616720 0.44914323259002 0.60658739131740 15.999 > 67 68 O 0.57469748616720 0.44914323259002 0.60658739131740 15.999 > 67 69 O 0.07469748616720 0.05085676740998 0.10658739131740 15.999 > 69 70 O 0.57469748616720 0.05085676740998 0.10658739131740 15.999 > 69 71 O 0.42530251383280 0.55085676740998 0.39341260868260 15.999 > 71 72 O 0.92530251383280 0.55085676740998 0.39341260868260 15.999 > 71 73 O 0.24237543871795 0.85495275178478 0.69649862304147 15.999 > 73 74 O 0.74237543871795 0.85495275178478 0.69649862304147 15.999 > 73 75 O 0.25762456128205 0.35495275178477 0.80350137695853 15.999 > 75 76 O 0.75762456128205 0.35495275178477 0.80350137695853 15.999 > 75 77 O 0.25762456128205 0.14504724821522 0.30350137695853 15.999 > 77 78 O 0.75762456128205 0.14504724821522 0.30350137695853 15.999 > 77 79 O 0.44756720465759 0.22555369250712 0.88137022488203 15.999 > 79 80 O 0.94756720465759 0.22555369250712 0.88137022488203 15.999 > 79 81 F 0.37819931975089 0.28569073725624 0.06066966707474 18.998 > 81 82 F 0.87819931975089 0.28569073725624 0.06066966707474 18.998 > 81 83 F 0.12180068024911 0.78569073725624 0.43933033292526 18.998 > 83 84 F 0.62180068024911 0.78569073725624 0.43933033292526 18.998 > 83 85 F 0.37819931975089 0.21430926274376 0.56066966707474 18.998 > 85 86 F 0.87819931975089 0.21430926274376 0.56066966707474 18.998 > 85 87 F 0.12180068024911 0.71430926274376 0.93933033292526 18.998 > 87 88 F 0.62180068024911 0.71430926274376 0.93933033292526 18.998 > 87 89 Si 0.35685974054335 0.53605146839383 0.70872356023533 28.085 > 89 90 Si 0.85685974054335 0.53605146839383 0.70872356023533 28.085 > 89 91 Si 0.06109689135036 0.24411259840365 0.89023389584411 28.085 > 91 92 Si 0.56109689135036 0.24411259840365 0.89023389584411 28.085 > 91 93 Si 0.06109689135036 0.25588740159635 0.39023389584411 28.085 > 93 94 Si 0.56109689135036 0.25588740159635 0.39023389584411 28.085 > 93 95 Si 0.43890310864964 0.75588740159635 0.10976610415589 28.085 > 95 96 Si 0.93890310864964 0.75588740159635 0.10976610415589 28.085 > 95 97 Si 0.35751782361057 0.58723745003086 0.24102123873303 28.085 > 97 98 Si 0.85751782361057 0.58723745003086 0.24102123873303 28.085 > 97 99 Si 0.14248217638943 0.08723745003086 0.25897876126697 28.085 > 99 100 Si 0.64248217638943 0.08723745003086 0.25897876126697 28.085 > 99 101 Si 0.14248217638943 0.41276254996914 0.75897876126697 28.085 > 101 102 Si 0.64248217638943 0.41276254996914 0.75897876126697 28.085 > 101 103 Si 0.35751782361057 0.91276254996914 0.74102123873303 28.085 > 103 104 Si 0.85751782361057 0.91276254996914 0.74102123873303 28.085 > 103 105 Si 0.35685974054335 0.96394853160617 0.20872356023533 28.085 > 105 106 Si 0.85685974054335 0.96394853160617 0.20872356023533 28.085 > 105 107 Si 0.14314025945666 0.46394853160617 0.29127643976467 28.085 > 107 108 Si 0.64314025945665 0.46394853160617 0.29127643976467 28.085 > 107 109 Si 0.43890310864964 0.74411259840365 0.60976610415589 28.085 > 109 110 Si 0.93890310864964 0.74411259840365 0.60976610415589 28.085 > 109 111 Si 0.14314025945666 0.03605146839383 0.79127643976467 28.085 > 111 112 Si 0.64314025945665 0.03605146839383 0.79127643976467 28.085 > 111 113 Dy 0.12836005840275 0.53139259866036 0.01910567470719 162.500 > 113 114 Dy 0.62836005840275 0.53139259866036 0.01910567470719 162.500 > 113 115 Dy 0.37163994159725 0.03139259866036 0.48089432529281 162.500 > 115 116 Dy 0.87163994159725 0.03139259866036 0.48089432529281 162.500 > 115 117 Dy 0.37163994159725 0.46860740133964 0.98089432529281 162.500 > 117 118 Dy 0.87163994159725 0.46860740133964 0.98089432529281 162.500 > 117 119 Dy 0.12836005840275 0.96860740133964 0.51910567470719 162.500 > 119 120 Dy 0.62836005840275 0.96860740133964 0.51910567470719 162.500 > 119 121 Dy 0.20170245210455 0.77272627190733 0.31125929886784 162.500 > 121 122 Dy 0.70170245210455 0.77272627190733 0.31125929886784 162.500 > 121 123 Dy 0.29829754789545 0.27272627190733 0.18874070113216 162.500 > 123 124 Dy 0.79829754789545 0.27272627190733 0.18874070113216 162.500 > 123 125 Dy 0.29829754789545 0.22727372809267 0.68874070113216 162.500 > 125 126 Dy 0.79829754789545 0.22727372809267 0.68874070113216 162.500 > 125 127 Dy 0.20170245210455 0.72727372809267 0.81125929886784 162.500 > 127 128 Dy 0.70170245210455 0.72727372809267 0.81125929886784 162.500 > 127 129 Dy 0.09738486094393 0.90212203327658 0.99546480048960 162.500 > 129 130 Dy 0.59738486094393 0.90212203327658 0.99546480048960 162.500 > 129 131 Dy 0.40261513905607 0.40212203327658 0.50453519951040 162.500 > 131 132 Dy 0.90261513905607 0.40212203327658 0.50453519951040 162.500 > 131 133 Dy 0.40261513905607 0.09787796672342 0.00453519951040 162.500 > 133 134 Dy 0.90261513905607 0.09787796672342 0.00453519951040 162.500 > 133 135 Dy 0.09738486094393 0.59787796672342 0.49546480048960 162.500 > 135 136 Dy 0.59738486094393 0.59787796672342 0.49546480048960 162.500 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3249202 0.0000000 -0.0002564 0.0000000 3.2457419 0.0000000 -0.0002555 0.0000000 3.3824190 -------------------------- Born effective charges -------------------------- 1 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 2 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 3 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 4 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 5 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 6 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 7 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 8 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 9 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 10 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 11 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 12 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 13 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 14 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 15 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 16 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 17 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 18 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 19 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 20 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 21 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 22 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 23 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 24 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 25 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 26 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 27 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 28 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 29 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 30 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 31 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 32 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 33 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 34 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 35 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 36 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 37 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 38 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 39 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 40 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 41 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 42 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 43 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 44 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 45 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 46 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 47 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 48 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 49 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 50 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 51 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 52 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 53 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 54 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 55 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 56 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 57 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 58 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 59 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 60 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 61 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 62 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 63 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 64 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 65 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 66 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 67 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 68 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] Computing fc3[ 91, 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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] [-0.0050 0.0000 0.0086] [ 0.0050 0.0000 -0.0086] 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 (zx) 0.00000000 (zx) 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 01:54:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:54:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.310168150026410 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): 1 O 0.34664535275718 0.90861800345434 0.87105195747793 15.999 2 O 0.65335464724282 0.40861800345434 0.62894804252207 15.999 3 O 0.65335464724282 0.09138199654566 0.12894804252207 15.999 4 O 0.34664535275718 0.59138199654566 0.37105195747793 15.999 5 O 0.89844219465433 0.52099625734048 0.86242498647219 15.999 6 O 0.10155780534567 0.02099625734048 0.63757501352781 15.999 7 O 0.10155780534567 0.47900374265952 0.13757501352781 15.999 8 O 0.89844219465433 0.97900374265952 0.36242498647219 15.999 9 O 0.50411494454782 0.89606328499688 0.19252534830455 15.999 10 O 0.49588505545218 0.39606328499688 0.30747465169545 15.999 11 O 0.49588505545218 0.10393671500312 0.80747465169545 15.999 12 O 0.50411494454782 0.60393671500312 0.69252534830455 15.999 13 O 0.80233795105150 0.60641113084750 0.62104082071854 15.999 14 O 0.19766204894850 0.10641113084750 0.87895917928146 15.999 15 O 0.19766204894850 0.39358886915250 0.37895917928146 15.999 16 O 0.80233795105150 0.89358886915250 0.12104082071854 15.999 17 O 0.48475087743590 0.64504724821522 0.19649862304147 15.999 18 O 0.10486559068482 0.72555369250712 0.61862977511797 15.999 19 O 0.89513440931518 0.27444630749288 0.38137022488203 15.999 20 O 0.10486559068482 0.77444630749288 0.11862977511797 15.999 21 O 0.71307620311097 0.82066652888485 0.48213501055109 15.999 22 O 0.28692379688902 0.32066652888485 0.01786498944891 15.999 23 O 0.28692379688902 0.17933347111515 0.51786498944891 15.999 24 O 0.71307620311097 0.67933347111515 0.98213501055109 15.999 25 O 0.88819447717012 0.82091643335224 0.73255303319174 15.999 26 O 0.11180552282988 0.32091643335224 0.76744696680826 15.999 27 O 0.11180552282988 0.17908356664776 0.26744696680826 15.999 28 O 0.88819447717012 0.67908356664776 0.23255303319174 15.999 29 O 0.35166834991523 0.97571560787965 0.36351273909914 15.999 30 O 0.64833165008477 0.47571560787966 0.13648726090086 15.999 31 O 0.64833165008477 0.02428439212034 0.63648726090086 15.999 32 O 0.35166834991523 0.52428439212035 0.86351273909914 15.999 33 O 0.85060502766560 0.94914323259002 0.89341260868260 15.999 34 O 0.14939497233440 0.44914323259002 0.60658739131740 15.999 35 O 0.14939497233440 0.05085676740998 0.10658739131740 15.999 36 O 0.85060502766560 0.55085676740998 0.39341260868260 15.999 37 O 0.48475087743590 0.85495275178478 0.69649862304147 15.999 38 O 0.51524912256411 0.35495275178477 0.80350137695853 15.999 39 O 0.51524912256411 0.14504724821522 0.30350137695853 15.999 40 O 0.89513440931518 0.22555369250712 0.88137022488203 15.999 41 F 0.75639863950177 0.28569073725624 0.06066966707474 18.998 42 F 0.24360136049823 0.78569073725624 0.43933033292526 18.998 43 F 0.75639863950177 0.21430926274376 0.56066966707474 18.998 44 F 0.24360136049823 0.71430926274376 0.93933033292526 18.998 45 Si 0.71371948108669 0.53605146839383 0.70872356023533 28.085 46 Si 0.12219378270072 0.24411259840365 0.89023389584411 28.085 47 Si 0.12219378270072 0.25588740159635 0.39023389584411 28.085 48 Si 0.87780621729928 0.75588740159635 0.10976610415589 28.085 49 Si 0.71503564722114 0.58723745003086 0.24102123873303 28.085 50 Si 0.28496435277886 0.08723745003086 0.25897876126697 28.085 51 Si 0.28496435277886 0.41276254996914 0.75897876126697 28.085 52 Si 0.71503564722114 0.91276254996914 0.74102123873303 28.085 53 Si 0.71371948108669 0.96394853160617 0.20872356023533 28.085 54 Si 0.28628051891331 0.46394853160617 0.29127643976467 28.085 55 Si 0.87780621729928 0.74411259840365 0.60976610415589 28.085 56 Si 0.28628051891331 0.03605146839383 0.79127643976467 28.085 57 Dy 0.25672011680550 0.53139259866036 0.01910567470719 162.500 58 Dy 0.74327988319450 0.03139259866036 0.48089432529281 162.500 59 Dy 0.74327988319450 0.46860740133964 0.98089432529281 162.500 60 Dy 0.25672011680550 0.96860740133964 0.51910567470719 162.500 61 Dy 0.40340490420909 0.77272627190733 0.31125929886784 162.500 62 Dy 0.59659509579091 0.27272627190733 0.18874070113216 162.500 63 Dy 0.59659509579091 0.22727372809267 0.68874070113216 162.500 64 Dy 0.40340490420909 0.72727372809267 0.81125929886784 162.500 65 Dy 0.19476972188786 0.90212203327658 0.99546480048960 162.500 66 Dy 0.80523027811214 0.40212203327658 0.50453519951040 162.500 67 Dy 0.80523027811214 0.09787796672342 0.00453519951040 162.500 68 Dy 0.19476972188786 0.59787796672342 0.49546480048960 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.620336300052820 0.000000000000000 0.000000000000000 b 0.000000000000000 11.107642710000000 0.000000000000000 c -6.002543097136541 0.000000000000000 10.274084144981201 Atomic positions (fractional): 1 O 0.17332267637859 0.90861800345434 0.87105195747793 15.999 > 1 2 O 0.67332267637859 0.90861800345434 0.87105195747793 15.999 > 1 3 O 0.32667732362141 0.40861800345434 0.62894804252207 15.999 > 3 4 O 0.82667732362141 0.40861800345434 0.62894804252207 15.999 > 3 5 O 0.32667732362141 0.09138199654566 0.12894804252207 15.999 > 5 6 O 0.82667732362141 0.09138199654566 0.12894804252207 15.999 > 5 7 O 0.17332267637859 0.59138199654566 0.37105195747793 15.999 > 7 8 O 0.67332267637859 0.59138199654566 0.37105195747793 15.999 > 7 9 O 0.44922109732717 0.52099625734048 0.86242498647219 15.999 > 9 10 O 0.94922109732717 0.52099625734048 0.86242498647219 15.999 > 9 11 O 0.05077890267283 0.02099625734048 0.63757501352781 15.999 > 11 12 O 0.55077890267283 0.02099625734048 0.63757501352781 15.999 > 11 13 O 0.05077890267283 0.47900374265952 0.13757501352781 15.999 > 13 14 O 0.55077890267283 0.47900374265952 0.13757501352781 15.999 > 13 15 O 0.44922109732717 0.97900374265952 0.36242498647219 15.999 > 15 16 O 0.94922109732717 0.97900374265952 0.36242498647219 15.999 > 15 17 O 0.25205747227391 0.89606328499688 0.19252534830455 15.999 > 17 18 O 0.75205747227391 0.89606328499688 0.19252534830455 15.999 > 17 19 O 0.24794252772609 0.39606328499688 0.30747465169545 15.999 > 19 20 O 0.74794252772609 0.39606328499688 0.30747465169545 15.999 > 19 21 O 0.24794252772609 0.10393671500312 0.80747465169545 15.999 > 21 22 O 0.74794252772609 0.10393671500312 0.80747465169545 15.999 > 21 23 O 0.25205747227391 0.60393671500312 0.69252534830455 15.999 > 23 24 O 0.75205747227391 0.60393671500312 0.69252534830455 15.999 > 23 25 O 0.40116897552575 0.60641113084750 0.62104082071854 15.999 > 25 26 O 0.90116897552575 0.60641113084750 0.62104082071854 15.999 > 25 27 O 0.09883102447425 0.10641113084750 0.87895917928146 15.999 > 27 28 O 0.59883102447425 0.10641113084750 0.87895917928146 15.999 > 27 29 O 0.09883102447425 0.39358886915250 0.37895917928146 15.999 > 29 30 O 0.59883102447425 0.39358886915250 0.37895917928146 15.999 > 29 31 O 0.40116897552575 0.89358886915250 0.12104082071854 15.999 > 31 32 O 0.90116897552575 0.89358886915250 0.12104082071854 15.999 > 31 33 O 0.24237543871795 0.64504724821522 0.19649862304147 15.999 > 33 34 O 0.74237543871795 0.64504724821522 0.19649862304147 15.999 > 33 35 O 0.05243279534241 0.72555369250712 0.61862977511797 15.999 > 35 36 O 0.55243279534241 0.72555369250712 0.61862977511797 15.999 > 35 37 O 0.44756720465759 0.27444630749288 0.38137022488203 15.999 > 37 38 O 0.94756720465759 0.27444630749288 0.38137022488203 15.999 > 37 39 O 0.05243279534241 0.77444630749288 0.11862977511797 15.999 > 39 40 O 0.55243279534241 0.77444630749288 0.11862977511797 15.999 > 39 41 O 0.35653810155549 0.82066652888485 0.48213501055109 15.999 > 41 42 O 0.85653810155549 0.82066652888485 0.48213501055109 15.999 > 41 43 O 0.14346189844451 0.32066652888485 0.01786498944891 15.999 > 43 44 O 0.64346189844451 0.32066652888485 0.01786498944891 15.999 > 43 45 O 0.14346189844451 0.17933347111515 0.51786498944891 15.999 > 45 46 O 0.64346189844451 0.17933347111515 0.51786498944891 15.999 > 45 47 O 0.35653810155549 0.67933347111515 0.98213501055109 15.999 > 47 48 O 0.85653810155549 0.67933347111515 0.98213501055109 15.999 > 47 49 O 0.44409723858506 0.82091643335224 0.73255303319174 15.999 > 49 50 O 0.94409723858506 0.82091643335224 0.73255303319174 15.999 > 49 51 O 0.05590276141494 0.32091643335224 0.76744696680826 15.999 > 51 52 O 0.55590276141494 0.32091643335224 0.76744696680826 15.999 > 51 53 O 0.05590276141494 0.17908356664776 0.26744696680826 15.999 > 53 54 O 0.55590276141494 0.17908356664776 0.26744696680826 15.999 > 53 55 O 0.44409723858506 0.67908356664776 0.23255303319174 15.999 > 55 56 O 0.94409723858506 0.67908356664776 0.23255303319174 15.999 > 55 57 O 0.17583417495762 0.97571560787965 0.36351273909914 15.999 > 57 58 O 0.67583417495762 0.97571560787965 0.36351273909914 15.999 > 57 59 O 0.32416582504238 0.47571560787966 0.13648726090086 15.999 > 59 60 O 0.82416582504238 0.47571560787966 0.13648726090086 15.999 > 59 61 O 0.32416582504238 0.02428439212034 0.63648726090086 15.999 > 61 62 O 0.82416582504238 0.02428439212034 0.63648726090086 15.999 > 61 63 O 0.17583417495762 0.52428439212035 0.86351273909914 15.999 > 63 64 O 0.67583417495762 0.52428439212035 0.86351273909914 15.999 > 63 65 O 0.42530251383280 0.94914323259002 0.89341260868260 15.999 > 65 66 O 0.92530251383280 0.94914323259002 0.89341260868260 15.999 > 65 67 O 0.07469748616720 0.44914323259002 0.60658739131740 15.999 > 67 68 O 0.57469748616720 0.44914323259002 0.60658739131740 15.999 > 67 69 O 0.07469748616720 0.05085676740998 0.10658739131740 15.999 > 69 70 O 0.57469748616720 0.05085676740998 0.10658739131740 15.999 > 69 71 O 0.42530251383280 0.55085676740998 0.39341260868260 15.999 > 71 72 O 0.92530251383280 0.55085676740998 0.39341260868260 15.999 > 71 73 O 0.24237543871795 0.85495275178478 0.69649862304147 15.999 > 73 74 O 0.74237543871795 0.85495275178478 0.69649862304147 15.999 > 73 75 O 0.25762456128205 0.35495275178477 0.80350137695853 15.999 > 75 76 O 0.75762456128205 0.35495275178477 0.80350137695853 15.999 > 75 77 O 0.25762456128205 0.14504724821522 0.30350137695853 15.999 > 77 78 O 0.75762456128205 0.14504724821522 0.30350137695853 15.999 > 77 79 O 0.44756720465759 0.22555369250712 0.88137022488203 15.999 > 79 80 O 0.94756720465759 0.22555369250712 0.88137022488203 15.999 > 79 81 F 0.37819931975089 0.28569073725624 0.06066966707474 18.998 > 81 82 F 0.87819931975089 0.28569073725624 0.06066966707474 18.998 > 81 83 F 0.12180068024911 0.78569073725624 0.43933033292526 18.998 > 83 84 F 0.62180068024911 0.78569073725624 0.43933033292526 18.998 > 83 85 F 0.37819931975089 0.21430926274376 0.56066966707474 18.998 > 85 86 F 0.87819931975089 0.21430926274376 0.56066966707474 18.998 > 85 87 F 0.12180068024911 0.71430926274376 0.93933033292526 18.998 > 87 88 F 0.62180068024911 0.71430926274376 0.93933033292526 18.998 > 87 89 Si 0.35685974054335 0.53605146839383 0.70872356023533 28.085 > 89 90 Si 0.85685974054335 0.53605146839383 0.70872356023533 28.085 > 89 91 Si 0.06109689135036 0.24411259840365 0.89023389584411 28.085 > 91 92 Si 0.56109689135036 0.24411259840365 0.89023389584411 28.085 > 91 93 Si 0.06109689135036 0.25588740159635 0.39023389584411 28.085 > 93 94 Si 0.56109689135036 0.25588740159635 0.39023389584411 28.085 > 93 95 Si 0.43890310864964 0.75588740159635 0.10976610415589 28.085 > 95 96 Si 0.93890310864964 0.75588740159635 0.10976610415589 28.085 > 95 97 Si 0.35751782361057 0.58723745003086 0.24102123873303 28.085 > 97 98 Si 0.85751782361057 0.58723745003086 0.24102123873303 28.085 > 97 99 Si 0.14248217638943 0.08723745003086 0.25897876126697 28.085 > 99 100 Si 0.64248217638943 0.08723745003086 0.25897876126697 28.085 > 99 101 Si 0.14248217638943 0.41276254996914 0.75897876126697 28.085 > 101 102 Si 0.64248217638943 0.41276254996914 0.75897876126697 28.085 > 101 103 Si 0.35751782361057 0.91276254996914 0.74102123873303 28.085 > 103 104 Si 0.85751782361057 0.91276254996914 0.74102123873303 28.085 > 103 105 Si 0.35685974054335 0.96394853160617 0.20872356023533 28.085 > 105 106 Si 0.85685974054335 0.96394853160617 0.20872356023533 28.085 > 105 107 Si 0.14314025945666 0.46394853160617 0.29127643976467 28.085 > 107 108 Si 0.64314025945665 0.46394853160617 0.29127643976467 28.085 > 107 109 Si 0.43890310864964 0.74411259840365 0.60976610415589 28.085 > 109 110 Si 0.93890310864964 0.74411259840365 0.60976610415589 28.085 > 109 111 Si 0.14314025945666 0.03605146839383 0.79127643976467 28.085 > 111 112 Si 0.64314025945665 0.03605146839383 0.79127643976467 28.085 > 111 113 Dy 0.12836005840275 0.53139259866036 0.01910567470719 162.500 > 113 114 Dy 0.62836005840275 0.53139259866036 0.01910567470719 162.500 > 113 115 Dy 0.37163994159725 0.03139259866036 0.48089432529281 162.500 > 115 116 Dy 0.87163994159725 0.03139259866036 0.48089432529281 162.500 > 115 117 Dy 0.37163994159725 0.46860740133964 0.98089432529281 162.500 > 117 118 Dy 0.87163994159725 0.46860740133964 0.98089432529281 162.500 > 117 119 Dy 0.12836005840275 0.96860740133964 0.51910567470719 162.500 > 119 120 Dy 0.62836005840275 0.96860740133964 0.51910567470719 162.500 > 119 121 Dy 0.20170245210455 0.77272627190733 0.31125929886784 162.500 > 121 122 Dy 0.70170245210455 0.77272627190733 0.31125929886784 162.500 > 121 123 Dy 0.29829754789545 0.27272627190733 0.18874070113216 162.500 > 123 124 Dy 0.79829754789545 0.27272627190733 0.18874070113216 162.500 > 123 125 Dy 0.29829754789545 0.22727372809267 0.68874070113216 162.500 > 125 126 Dy 0.79829754789545 0.22727372809267 0.68874070113216 162.500 > 125 127 Dy 0.20170245210455 0.72727372809267 0.81125929886784 162.500 > 127 128 Dy 0.70170245210455 0.72727372809267 0.81125929886784 162.500 > 127 129 Dy 0.09738486094393 0.90212203327658 0.99546480048960 162.500 > 129 130 Dy 0.59738486094393 0.90212203327658 0.99546480048960 162.500 > 129 131 Dy 0.40261513905607 0.40212203327658 0.50453519951040 162.500 > 131 132 Dy 0.90261513905607 0.40212203327658 0.50453519951040 162.500 > 131 133 Dy 0.40261513905607 0.09787796672342 0.00453519951040 162.500 > 133 134 Dy 0.90261513905607 0.09787796672342 0.00453519951040 162.500 > 133 135 Dy 0.09738486094393 0.59787796672342 0.49546480048960 162.500 > 135 136 Dy 0.59738486094393 0.59787796672342 0.49546480048960 162.500 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3249202 0.0000000 -0.0002564 0.0000000 3.2457419 0.0000000 -0.0002555 0.0000000 3.3824190 -------------------------- Born effective charges -------------------------- 1 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 2 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 3 O -1.8622427 0.1357738 0.5426801 0.1659322 -2.4383156 0.1236669 0.4932522 0.1498864 -1.7661149 4 O -1.8622427 -0.1357738 0.5426801 -0.1659322 -2.4383156 -0.1236669 0.4932522 -0.1498864 -1.7661149 5 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 6 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 7 O -2.2273300 -0.0868622 -0.3177162 -0.0887421 -1.2037739 0.1548412 -0.3677679 0.2137247 -2.7102966 8 O -2.2273300 0.0868622 -0.3177162 0.0887421 -1.2037739 -0.1548412 -0.3677679 -0.2137247 -2.7102966 9 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 10 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 11 O -2.3964296 -0.5858366 -0.2066248 -0.5789770 -1.7089314 0.1439512 -0.2231282 0.0489064 -2.0465179 12 O -2.3964296 0.5858366 -0.2066248 0.5789770 -1.7089314 -0.1439512 -0.2231282 -0.0489064 -2.0465179 13 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 14 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 15 O -1.8408896 -0.5034024 0.4734831 -0.6052664 -2.4575671 0.2399095 0.4042319 0.1974801 -1.4271736 16 O -1.8408896 0.5034024 0.4734831 0.6052664 -2.4575671 -0.2399095 0.4042319 -0.1974801 -1.4271736 17 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 18 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 19 O -2.5302717 0.3808703 -0.2334162 0.3583124 -1.5435168 -0.1764951 -0.2425508 -0.1707767 -1.9884333 20 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 21 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 22 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 23 O -1.5252930 0.0159659 -0.5434429 0.0293042 -2.1583798 0.1576069 -0.6070271 0.2494435 -2.3932306 24 O -1.5252930 -0.0159659 -0.5434429 -0.0293042 -2.1583798 -0.1576069 -0.6070271 -0.2494435 -2.3932306 25 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 26 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 27 O -1.9166087 0.6122316 0.2431161 0.7524301 -1.8521224 -0.4895879 0.3610787 -0.4657219 -1.8249716 28 O -1.9166087 -0.6122316 0.2431161 -0.7524301 -1.8521224 0.4895879 0.3610787 0.4657219 -1.8249716 29 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 30 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 31 O -1.9306892 -0.0367408 0.2781656 0.0599866 -2.0848392 0.2186905 0.3316710 0.2226145 -2.0870502 32 O -1.9306892 0.0367408 0.2781656 -0.0599866 -2.0848392 -0.2186905 0.3316710 -0.2226145 -2.0870502 33 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 34 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 35 O -1.9135753 0.3828208 -0.2831383 0.3760934 -1.5955321 -0.3703152 -0.2725249 -0.3891662 -2.4938932 36 O -1.9135753 -0.3828208 -0.2831383 -0.3760934 -1.5955321 0.3703152 -0.2725249 0.3891662 -2.4938932 37 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 38 O -2.1393190 0.3959787 -0.1161862 0.4419649 -1.8898196 -0.4747042 -0.0589750 -0.4759440 -1.8686486 39 O -2.1393190 -0.3959787 -0.1161862 -0.4419649 -1.8898196 0.4747042 -0.0589750 0.4759440 -1.8686486 40 O -2.5302717 -0.3808703 -0.2334162 -0.3583124 -1.5435168 0.1764951 -0.2425508 0.1707767 -1.9884333 41 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 42 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 43 F -1.1728627 -0.1252123 0.3512062 -0.0251659 -1.9052383 -0.1452231 0.3686378 -0.1150012 -1.1099264 44 F -1.1728627 0.1252123 0.3512062 0.0251659 -1.9052383 0.1452231 0.3686378 0.1150012 -1.1099264 45 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 46 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 47 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 48 Si 3.5050900 0.1989488 -0.0707821 0.2977440 3.5671512 0.0307832 0.0797847 0.3350413 3.0037503 49 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 50 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 51 Si 3.2389701 0.0935032 0.2754371 0.2870538 2.8767204 -0.0059682 -0.0670382 -0.0584942 3.3635529 52 Si 3.2389701 -0.0935032 0.2754371 -0.2870538 2.8767204 0.0059682 -0.0670382 0.0584942 3.3635529 53 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 54 Si 3.3198315 -0.2689811 -0.2078724 0.0329464 3.1251362 -0.1465768 -0.0036185 -0.0939421 3.3861538 55 Si 3.5050900 -0.1989488 -0.0707821 -0.2977440 3.5671512 -0.0307832 0.0797847 -0.3350413 3.0037503 56 Si 3.3198315 0.2689811 -0.2078724 -0.0329464 3.1251362 0.1465768 -0.0036185 0.0939421 3.3861538 57 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 58 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 59 Dy 3.8855131 0.1548653 0.0112612 0.1953464 3.6309825 0.0143856 -0.0153929 0.0599631 3.9404900 60 Dy 3.8855131 -0.1548653 0.0112612 -0.1953464 3.6309825 -0.0143856 -0.0153929 -0.0599631 3.9404900 61 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 62 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 63 Dy 3.5021307 0.2110424 -0.0489185 0.1271123 4.1252529 0.1620950 -0.0165753 0.2522583 3.9579344 64 Dy 3.5021307 -0.2110424 -0.0489185 -0.1271123 4.1252529 -0.1620950 -0.0165753 -0.2522583 3.9579344 65 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 66 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 67 Dy 4.0039761 -0.1902975 -0.1472519 -0.1981785 3.5127930 -0.0164777 -0.1640574 -0.0171708 4.0643755 68 Dy 4.0039761 0.1902975 -0.1472519 0.1981785 3.5127930 0.0164777 -0.1640574 0.0171708 4.0643755 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.218 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.855 ( 0.000 0.000 0.000) 0.000 5.860 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.193 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.078 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.114 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.851 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.306 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.887 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.229 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.367 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.565 ( 0.000 0.000 0.000) 0.000 12.755 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 12.937 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.318 ( 0.000 0.000 0.000) 0.000 13.469 ( 0.000 0.000 0.000) 0.000 13.600 ( 0.000 0.000 0.000) 0.000 13.707 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 14.086 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.155 ( 0.000 0.000 0.000) 0.000 14.248 ( 0.000 0.000 0.000) 0.000 14.586 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.368 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.484 ( 0.000 0.000 0.000) 0.000 15.577 ( 0.000 0.000 0.000) 0.000 15.603 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 16.099 ( 0.000 0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.441 ( 0.000 0.000 0.000) 0.000 16.614 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 19.046 ( 0.000 0.000 0.000) 0.000 19.232 ( 0.000 0.000 0.000) 0.000 19.476 ( 0.000 0.000 0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 20.784 ( 0.000 0.000 0.000) 0.000 20.965 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 21.174 ( 0.000 0.000 0.000) 0.000 24.983 ( 0.000 0.000 0.000) 0.000 24.999 ( 0.000 0.000 0.000) 0.000 25.253 ( 0.000 0.000 0.000) 0.000 25.369 ( 0.000 0.000 0.000) 0.000 25.971 ( 0.000 0.000 0.000) 0.000 26.022 ( 0.000 0.000 0.000) 0.000 26.059 ( 0.000 0.000 0.000) 0.000 26.071 ( 0.000 0.000 0.000) 0.000 26.417 ( 0.000 0.000 0.000) 0.000 26.595 ( 0.000 0.000 0.000) 0.000 26.892 ( 0.000 0.000 0.000) 0.000 27.073 ( 0.000 0.000 0.000) 0.000 27.073 ( 0.000 0.000 0.000) 0.000 27.181 ( 0.000 0.000 0.000) 0.000 27.287 ( 0.000 0.000 0.000) 0.000 27.451 ( 0.000 0.000 0.000) 0.000 27.497 ( 0.000 0.000 0.000) 0.000 27.589 ( 0.000 0.000 0.000) 0.000 27.751 ( 0.000 0.000 0.000) 0.000 27.875 ( 0.000 0.000 0.000) 0.000 28.111 ( 0.000 0.000 0.000) 0.000 28.135 ( 0.000 0.000 0.000) 0.000 28.154 ( 0.000 0.000 0.000) 0.000 28.208 ( 0.000 0.000 0.000) 0.000 28.475 ( 0.000 0.000 0.000) 0.000 28.507 ( 0.000 0.000 0.000) 0.000 28.532 ( 0.000 0.000 0.000) 0.000 28.733 ( 0.000 0.000 0.000) 0.000 28.932 ( 0.000 0.000 0.000) 0.000 29.292 ( 0.000 0.000 0.000) 0.000 29.362 ( 0.000 0.000 0.000) 0.000 29.383 ( 0.000 0.000 0.000) 0.000 29.593 ( 0.000 0.000 0.000) 0.000 29.649 ( 0.000 0.000 0.000) 0.000 29.805 ( 0.000 0.000 0.000) 0.000 30.032 ( 0.000 0.000 0.000) 0.000 30.263 ( 0.000 0.000 0.000) 0.000 30.613 ( 0.000 0.000 0.000) 0.000 30.662 ( 0.000 0.000 0.000) 0.000 30.896 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 24.948 0.000 6.629) 25.813 0.598 ( 36.564 0.000 -4.178) 36.801 1.261 ( 45.657 0.000 41.937) 61.994 1.948 ( 11.405 0.000 14.240) 18.244 2.235 ( -5.763 0.000 10.802) 12.243 2.284 ( 9.845 0.000 -9.126) 13.424 2.322 ( 6.859 0.000 5.184) 8.597 2.385 ( -2.507 0.000 4.458) 5.115 2.429 ( 4.123 0.000 -0.739) 4.188 2.499 ( -2.077 0.000 -1.205) 2.401 2.636 ( 2.331 0.000 -10.567) 10.821 2.732 ( -0.749 0.000 1.354) 1.547 2.735 ( 2.183 0.000 -1.760) 2.804 2.824 ( 0.349 0.000 -0.064) 0.354 2.839 ( -4.730 0.000 3.597) 5.943 2.898 ( -1.203 0.000 -5.288) 5.423 3.008 ( -2.783 0.000 -5.673) 6.319 3.098 ( -0.885 0.000 0.825) 1.210 3.102 ( 3.643 0.000 5.646) 6.719 3.195 ( -0.072 0.000 -3.415) 3.416 3.246 ( -6.753 0.000 17.805) 19.043 3.339 ( -5.530 0.000 -2.188) 5.948 3.394 ( 2.165 0.000 -3.022) 3.718 3.689 ( -4.592 0.000 1.579) 4.856 3.771 ( 10.656 0.000 8.197) 13.444 3.818 ( 2.249 0.000 1.430) 2.666 3.854 ( 0.200 0.000 -1.984) 1.994 3.900 ( -5.207 0.000 -5.997) 7.942 4.000 ( 3.565 0.000 0.499) 3.600 4.045 ( -3.088 0.000 -1.384) 3.384 4.102 ( 1.890 0.000 1.183) 2.230 4.184 ( -5.642 0.000 -6.170) 8.361 4.292 ( -1.395 0.000 0.735) 1.576 4.378 ( 3.459 0.000 1.049) 3.615 4.517 ( -3.309 0.000 -4.829) 5.854 4.554 ( 0.219 0.000 -0.363) 0.424 4.602 ( -1.156 0.000 -3.560) 3.743 4.689 ( -2.472 0.000 -2.875) 3.791 4.708 ( 0.478 0.000 6.374) 6.392 4.753 ( -3.857 0.000 5.845) 7.003 4.821 ( 2.922 0.000 -0.055) 2.923 4.916 ( -0.844 0.000 0.873) 1.214 5.077 ( -3.412 0.000 1.315) 3.656 5.089 ( -3.532 0.000 0.852) 3.634 5.215 ( 0.004 0.000 -2.319) 2.319 5.258 ( -1.158 0.000 -12.014) 12.069 5.285 ( -1.904 0.000 -8.397) 8.610 5.401 ( -6.175 0.000 1.609) 6.381 5.424 ( 1.741 0.000 -3.845) 4.220 5.475 ( 1.313 0.000 -0.614) 1.450 5.532 ( 2.778 0.000 2.079) 3.470 5.587 ( -4.481 0.000 -4.980) 6.700 5.831 ( -2.612 0.000 -0.706) 2.706 5.858 ( -4.580 0.000 1.668) 4.874 5.901 ( -2.819 0.000 -0.851) 2.945 5.902 ( 2.007 0.000 3.199) 3.777 6.076 ( -0.186 0.000 2.807) 2.814 6.107 ( 4.247 0.000 -0.532) 4.280 6.134 ( -1.514 0.000 -2.791) 3.175 6.171 ( 0.333 0.000 1.980) 2.008 6.251 ( 4.047 0.000 0.036) 4.048 6.343 ( -7.359 0.000 -0.520) 7.377 6.468 ( -1.290 0.000 0.876) 1.559 6.476 ( 0.347 0.000 1.661) 1.697 6.724 ( -1.060 0.000 -0.675) 1.257 6.903 ( -5.907 0.000 2.627) 6.464 6.995 ( -2.292 0.000 0.347) 2.318 7.050 ( 9.497 0.000 -6.094) 11.284 7.169 ( 0.095 0.000 -4.015) 4.016 7.271 ( 1.690 0.000 -0.235) 1.707 7.481 ( 1.422 0.000 -2.264) 2.674 7.508 ( 1.063 0.000 4.094) 4.230 7.627 ( -1.353 0.000 2.739) 3.054 7.633 ( -2.108 0.000 3.715) 4.272 7.788 ( 2.145 0.000 2.267) 3.121 7.939 ( 1.806 0.000 -6.047) 6.311 8.197 ( -20.618 0.000 31.868) 37.956 8.370 ( -1.127 0.000 0.173) 1.140 8.383 ( -4.166 0.000 -1.042) 4.295 8.467 ( -3.743 0.000 0.007) 3.743 8.548 ( -0.133 0.000 -1.118) 1.126 8.668 ( -4.761 0.000 -2.267) 5.273 8.778 ( 5.180 0.000 -1.309) 5.342 8.802 ( 2.085 0.000 -1.874) 2.803 8.969 ( -3.504 0.000 -0.179) 3.508 8.979 ( 1.576 0.000 0.825) 1.778 9.073 ( -8.339 0.000 1.615) 8.494 9.133 ( -5.130 0.000 1.086) 5.244 9.202 ( 1.757 0.000 -1.148) 2.099 9.281 ( -1.325 0.000 -4.649) 4.834 9.481 ( 5.843 0.000 -1.840) 6.125 9.526 ( -2.294 0.000 4.471) 5.025 9.557 ( 14.230 0.000 -23.790) 27.720 9.697 ( 9.887 0.000 -1.508) 10.001 9.873 ( -0.037 0.000 0.421) 0.423 10.077 ( -3.561 0.000 1.287) 3.786 10.095 ( -2.407 0.000 2.843) 3.725 10.223 ( 3.742 0.000 -3.750) 5.297 10.232 ( 2.514 0.000 -4.572) 5.218 10.298 ( 0.845 0.000 0.021) 0.845 10.652 ( -8.377 0.000 10.398) 13.353 10.745 ( -0.306 0.000 0.311) 0.437 10.824 ( 0.684 0.000 3.191) 3.264 10.857 ( 1.631 0.000 0.419) 1.684 11.021 ( 3.181 0.000 4.987) 5.915 11.188 ( -4.976 0.000 -3.919) 6.333 11.230 ( -6.102 0.000 -1.482) 6.279 11.306 ( -2.535 0.000 -9.058) 9.406 11.765 ( 3.871 0.000 8.239) 9.103 11.921 ( 2.549 0.000 2.145) 3.331 12.050 ( -2.908 0.000 2.201) 3.647 12.166 ( -3.830 0.000 1.562) 4.136 12.193 ( 1.386 0.000 5.631) 5.800 12.244 ( 1.509 0.000 2.102) 2.587 12.278 ( 0.117 0.000 2.228) 2.231 12.324 ( -1.602 0.000 -0.670) 1.736 12.492 ( 4.529 0.000 -0.211) 4.534 12.549 ( -3.056 0.000 3.133) 4.376 12.731 ( -0.672 0.000 -1.324) 1.485 12.830 ( 0.591 0.000 -3.098) 3.154 12.864 ( -7.273 0.000 2.390) 7.656 13.000 ( -1.232 0.000 -1.224) 1.737 13.037 ( 2.626 0.000 -1.140) 2.862 13.075 ( -1.948 0.000 -1.341) 2.364 13.139 ( 5.733 0.000 0.223) 5.737 13.155 ( 2.682 0.000 1.298) 2.979 13.322 ( 1.378 0.000 -0.967) 1.684 13.511 ( 2.447 0.000 3.142) 3.983 13.512 ( -0.104 0.000 11.483) 11.483 13.600 ( -10.802 0.000 -1.010) 10.849 13.660 ( 3.831 0.000 2.968) 4.847 13.775 ( -7.263 0.000 1.517) 7.420 14.104 ( 2.893 0.000 1.512) 3.264 14.213 ( 6.181 0.000 -0.547) 6.205 14.245 ( 0.601 0.000 -1.906) 1.998 14.365 ( -3.107 0.000 4.102) 5.146 14.531 ( -5.041 0.000 -4.487) 6.749 14.608 ( 1.030 0.000 -1.280) 1.643 14.752 ( 7.627 0.000 -23.359) 24.573 14.787 ( -1.740 0.000 3.710) 4.097 15.042 ( 2.272 0.000 -2.266) 3.209 15.219 ( -1.128 0.000 -1.973) 2.272 15.357 ( 0.324 0.000 -2.439) 2.461 15.409 ( -1.676 0.000 4.020) 4.355 15.436 ( -1.560 0.000 -6.286) 6.477 15.563 ( -1.768 0.000 -2.462) 3.031 15.688 ( 15.759 0.000 -27.535) 31.725 15.843 ( -3.398 0.000 4.862) 5.932 16.083 ( -1.093 0.000 -4.836) 4.958 16.091 ( -0.612 0.000 1.380) 1.509 16.326 ( -6.943 0.000 4.887) 8.491 16.363 ( 2.276 0.000 1.703) 2.842 16.473 ( 2.783 0.000 3.100) 4.166 16.737 ( 5.738 0.000 0.443) 5.755 16.781 ( 8.961 0.000 -0.935) 9.010 16.813 ( 7.634 0.000 -2.654) 8.082 19.217 ( -0.870 0.000 -0.681) 1.105 19.245 ( 6.327 0.000 -16.189) 17.381 19.479 ( -0.148 0.000 0.579) 0.597 19.698 ( -0.773 0.000 -1.374) 1.577 20.810 ( 2.239 0.000 1.128) 2.506 20.984 ( 2.819 0.000 -1.663) 3.273 21.159 ( -2.118 0.000 0.650) 2.216 21.294 ( -8.167 0.000 9.637) 12.632 24.997 ( 0.355 0.000 -0.478) 0.596 25.013 ( -2.170 0.000 6.657) 7.002 25.321 ( 3.732 0.000 5.990) 7.058 25.383 ( 1.138 0.000 0.622) 1.297 25.923 ( -0.618 0.000 -4.525) 4.567 26.021 ( 0.423 0.000 -5.945) 5.960 26.070 ( 1.040 0.000 3.569) 3.718 26.096 ( -1.074 0.000 3.791) 3.940 26.646 ( 2.688 0.000 4.629) 5.353 26.891 ( -0.739 0.000 2.128) 2.253 27.006 ( 0.419 0.000 -2.811) 2.842 27.089 ( 4.990 0.000 -4.635) 6.811 27.101 ( 4.444 0.000 -3.298) 5.534 27.190 ( -4.286 0.000 6.674) 7.931 27.284 ( 1.071 0.000 -1.724) 2.030 27.432 ( -1.159 0.000 -0.766) 1.389 27.512 ( 1.542 0.000 -0.243) 1.561 27.552 ( -1.260 0.000 -3.275) 3.509 27.787 ( 0.227 0.000 4.627) 4.633 28.061 ( -2.811 0.000 -0.395) 2.839 28.098 ( -2.724 0.000 -4.496) 5.256 28.139 ( 1.848 0.000 -1.280) 2.248 28.229 ( 0.254 0.000 2.022) 2.038 28.239 ( -7.410 0.000 19.625) 20.977 28.499 ( -3.091 0.000 -0.717) 3.173 28.506 ( -2.005 0.000 3.471) 4.008 28.676 ( -1.684 0.000 -3.848) 4.200 28.857 ( 3.721 0.000 -0.109) 3.723 28.880 ( -4.104 0.000 -2.183) 4.648 29.203 ( -10.804 0.000 -1.124) 10.863 29.394 ( -5.578 0.000 1.775) 5.854 29.442 ( 4.437 0.000 4.081) 6.029 29.622 ( 0.362 0.000 -3.301) 3.320 29.803 ( -1.716 0.000 2.494) 3.028 29.989 ( -3.943 0.000 2.614) 4.731 30.334 ( 7.476 0.000 -1.168) 7.567 30.603 ( -3.222 0.000 -5.786) 6.622 30.740 ( 11.239 0.000 2.981) 11.627 30.830 ( -6.171 0.000 -0.861) 6.231 31.570 ( 4.143 0.000 -6.338) 7.572 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 22.232 0.000 4.578) 22.699 1.146 ( 31.452 0.000 -4.014) 31.707 2.182 ( -6.842 0.000 1.860) 7.090 2.214 ( -0.044 0.000 -0.656) 0.658 2.259 ( -12.087 0.000 -4.308) 12.831 2.269 ( 10.761 0.000 11.822) 15.986 2.335 ( 13.996 0.000 -5.390) 14.998 2.390 ( -4.487 0.000 -11.551) 12.392 2.404 ( 8.185 0.000 9.139) 12.269 2.532 ( 0.562 0.000 -5.618) 5.646 2.628 ( 13.690 0.000 9.075) 16.425 2.705 ( -10.354 0.000 1.667) 10.487 2.745 ( 3.341 0.000 -2.450) 4.143 2.775 ( -4.015 0.000 1.891) 4.438 2.856 ( 1.662 0.000 -1.964) 2.573 2.856 ( 5.386 0.000 1.344) 5.551 2.920 ( -1.792 0.000 -1.334) 2.234 3.072 ( -11.213 0.000 -0.788) 11.240 3.088 ( -0.381 0.000 -8.614) 8.622 3.218 ( 2.813 0.000 3.906) 4.813 3.273 ( 1.003 0.000 6.435) 6.513 3.385 ( 4.532 0.000 -2.963) 5.414 3.402 ( 1.862 0.000 13.449) 13.577 3.623 ( -4.418 0.000 0.654) 4.466 3.795 ( -3.473 0.000 -2.807) 4.466 3.811 ( 2.432 0.000 -4.728) 5.317 3.859 ( -1.885 0.000 3.928) 4.357 3.996 ( 2.895 0.000 4.813) 5.616 4.008 ( -4.624 0.000 -6.272) 7.792 4.106 ( 10.248 0.000 9.227) 13.789 4.108 ( 5.078 0.000 1.687) 5.351 4.166 ( 2.776 0.000 3.301) 4.313 4.281 ( 0.647 0.000 -0.532) 0.838 4.375 ( -3.050 0.000 -1.537) 3.415 4.509 ( 5.156 0.000 -3.777) 6.391 4.534 ( -3.479 0.000 -5.716) 6.691 4.556 ( 0.479 0.000 -2.316) 2.365 4.591 ( -2.479 0.000 5.038) 5.615 4.712 ( -6.468 0.000 2.918) 7.095 4.731 ( -8.122 0.000 5.887) 10.031 4.855 ( -1.235 0.000 -2.520) 2.806 4.891 ( 2.308 0.000 4.059) 4.669 5.013 ( -2.501 0.000 -3.420) 4.237 5.088 ( -3.025 0.000 6.744) 7.391 5.123 ( -0.529 0.000 -7.861) 7.879 5.153 ( -0.377 0.000 -11.206) 11.212 5.208 ( -0.834 0.000 -1.643) 1.843 5.343 ( -0.314 0.000 1.558) 1.590 5.356 ( -1.849 0.000 -6.500) 6.758 5.488 ( -0.311 0.000 2.521) 2.540 5.506 ( -2.419 0.000 -2.358) 3.379 5.594 ( 2.423 0.000 0.287) 2.440 5.739 ( -6.525 0.000 -1.633) 6.726 5.769 ( -7.508 0.000 5.801) 9.487 5.867 ( 0.586 0.000 -5.267) 5.299 5.957 ( 1.424 0.000 -3.217) 3.518 6.058 ( -0.762 0.000 -1.459) 1.646 6.117 ( -0.355 0.000 4.667) 4.681 6.150 ( 4.421 0.000 -4.136) 6.054 6.186 ( -5.321 0.000 -1.093) 5.432 6.265 ( 0.701 0.000 6.994) 7.029 6.307 ( 2.712 0.000 -1.217) 2.973 6.462 ( -2.648 0.000 -2.155) 3.414 6.469 ( -1.278 0.000 3.981) 4.181 6.697 ( -1.332 0.000 -0.310) 1.368 6.789 ( -7.092 0.000 -0.341) 7.101 7.022 ( 1.813 0.000 4.041) 4.429 7.108 ( -1.457 0.000 -2.459) 2.858 7.144 ( 3.754 0.000 -3.141) 4.895 7.276 ( 0.575 0.000 -2.408) 2.476 7.458 ( -1.158 0.000 -2.513) 2.767 7.523 ( -3.525 0.000 6.391) 7.299 7.665 ( 1.477 0.000 3.518) 3.816 7.700 ( 1.932 0.000 6.389) 6.675 7.834 ( 0.047 0.000 2.955) 2.955 7.898 ( 3.410 0.000 -9.881) 10.452 8.164 ( -9.137 0.000 11.958) 15.050 8.255 ( -8.269 0.000 -1.033) 8.333 8.335 ( -3.161 0.000 -0.275) 3.172 8.422 ( -2.039 0.000 1.934) 2.810 8.459 ( -4.211 0.000 -5.877) 7.230 8.629 ( -0.985 0.000 1.654) 1.926 8.809 ( 2.028 0.000 -4.286) 4.741 8.844 ( 1.793 0.000 -0.349) 1.827 8.909 ( -3.427 0.000 1.548) 3.760 8.950 ( -1.839 0.000 -5.704) 5.993 9.011 ( -0.630 0.000 1.181) 1.338 9.024 ( -6.593 0.000 -0.367) 6.603 9.226 ( 2.243 0.000 -0.079) 2.244 9.244 ( 0.733 0.000 -2.249) 2.365 9.528 ( 0.549 0.000 0.062) 0.552 9.538 ( -1.295 0.000 4.246) 4.439 9.576 ( 5.680 0.000 -6.275) 8.464 9.823 ( 7.504 0.000 -4.852) 8.936 9.891 ( 0.991 0.000 1.591) 1.875 10.031 ( -2.951 0.000 0.785) 3.054 10.122 ( 1.039 0.000 1.665) 1.963 10.176 ( -1.373 0.000 -4.445) 4.653 10.221 ( 1.569 0.000 -5.301) 5.528 10.324 ( 1.969 0.000 -1.324) 2.373 10.619 ( -3.941 0.000 5.065) 6.417 10.758 ( 1.506 0.000 0.841) 1.725 10.851 ( 0.267 0.000 1.868) 1.887 10.947 ( 5.928 0.000 2.662) 6.498 11.006 ( -8.416 0.000 -5.308) 9.950 11.107 ( -4.574 0.000 -7.066) 8.417 11.150 ( 3.552 0.000 7.389) 8.198 11.179 ( -1.866 0.000 -6.971) 7.217 11.906 ( 5.572 0.000 1.409) 5.748 12.004 ( 3.521 0.000 3.252) 4.793 12.008 ( -2.973 0.000 1.691) 3.420 12.111 ( -4.117 0.000 1.969) 4.563 12.276 ( 2.250 0.000 4.095) 4.673 12.302 ( 1.315 0.000 1.041) 1.677 12.335 ( 2.816 0.000 4.163) 5.026 12.359 ( 2.323 0.000 9.590) 9.867 12.505 ( -1.524 0.000 -1.818) 2.373 12.537 ( -3.136 0.000 5.136) 6.018 12.740 ( -6.322 0.000 -0.325) 6.331 12.747 ( 2.379 0.000 0.911) 2.548 12.832 ( 2.033 0.000 -3.615) 4.147 12.979 ( 0.571 0.000 -1.784) 1.873 12.991 ( -6.131 0.000 2.363) 6.571 13.097 ( 5.793 0.000 -3.681) 6.864 13.173 ( -1.572 0.000 0.557) 1.668 13.270 ( 9.337 0.000 -4.032) 10.170 13.358 ( 3.012 0.000 0.817) 3.120 13.373 ( -11.170 0.000 -1.619) 11.287 13.581 ( 0.625 0.000 0.835) 1.043 13.613 ( 2.931 0.000 2.199) 3.664 13.697 ( -2.471 0.000 2.822) 3.751 13.764 ( 4.441 0.000 1.878) 4.822 14.155 ( -7.492 0.000 -8.355) 11.222 14.156 ( -1.565 0.000 0.193) 1.577 14.257 ( -2.825 0.000 3.736) 4.684 14.361 ( -2.129 0.000 5.008) 5.442 14.418 ( -0.909 0.000 -1.071) 1.405 14.559 ( -0.168 0.000 -0.848) 0.865 14.764 ( 8.444 0.000 -7.495) 11.290 14.782 ( -1.171 0.000 -0.279) 1.204 15.068 ( 2.504 0.000 0.854) 2.645 15.140 ( -2.305 0.000 -7.263) 7.620 15.344 ( 0.921 0.000 -1.588) 1.835 15.365 ( -0.176 0.000 -2.698) 2.704 15.415 ( -2.837 0.000 4.435) 5.264 15.510 ( -2.467 0.000 -0.883) 2.621 15.677 ( 5.741 0.000 -11.240) 12.621 15.821 ( -4.025 0.000 4.164) 5.792 16.011 ( -0.346 0.000 -6.199) 6.208 16.141 ( 3.217 0.000 4.153) 5.254 16.253 ( -5.733 0.000 2.305) 6.179 16.420 ( 0.693 0.000 3.064) 3.141 16.582 ( 5.880 0.000 2.391) 6.347 16.844 ( 5.136 0.000 1.467) 5.342 16.894 ( 5.643 0.000 -3.008) 6.395 16.927 ( 7.299 0.000 -1.500) 7.452 19.191 ( 1.197 0.000 -6.624) 6.732 19.211 ( 0.761 0.000 0.578) 0.956 19.475 ( -1.396 0.000 1.094) 1.773 19.658 ( -1.651 0.000 -2.397) 2.911 20.872 ( 2.821 0.000 1.866) 3.383 21.013 ( 3.060 0.000 -3.083) 4.343 21.114 ( -3.666 0.000 0.515) 3.702 21.237 ( -4.980 0.000 1.802) 5.296 25.005 ( 0.692 0.000 0.186) 0.717 25.048 ( 0.133 0.000 3.354) 3.357 25.413 ( 1.295 0.000 0.913) 1.584 25.471 ( 4.465 0.000 8.494) 9.596 25.878 ( 0.037 0.000 -3.371) 3.371 25.966 ( -0.183 0.000 -5.069) 5.072 26.108 ( -1.173 0.000 2.456) 2.722 26.108 ( 0.145 0.000 2.211) 2.216 26.715 ( -0.067 0.000 1.325) 1.327 26.971 ( 5.754 0.000 8.110) 9.944 26.991 ( -3.181 0.000 4.857) 5.806 27.107 ( -1.232 0.000 -1.840) 2.214 27.155 ( 7.812 0.000 -4.532) 9.031 27.205 ( 3.458 0.000 -1.912) 3.951 27.315 ( 3.012 0.000 1.405) 3.324 27.413 ( -0.798 0.000 0.515) 0.950 27.497 ( -0.399 0.000 -3.386) 3.410 27.530 ( 0.006 0.000 -0.510) 0.510 27.844 ( 1.424 0.000 5.311) 5.499 27.982 ( -2.443 0.000 -8.828) 9.160 28.004 ( -2.321 0.000 -2.254) 3.235 28.170 ( 2.217 0.000 -0.760) 2.344 28.232 ( -1.292 0.000 0.153) 1.301 28.302 ( -1.626 0.000 7.887) 8.053 28.432 ( -2.814 0.000 -1.393) 3.139 28.508 ( -2.801 0.000 4.686) 5.459 28.623 ( -2.356 0.000 0.334) 2.380 28.770 ( -4.644 0.000 -4.213) 6.270 28.884 ( -1.175 0.000 -0.448) 1.258 28.926 ( -16.684 0.000 -4.362) 17.245 29.298 ( -6.082 0.000 1.138) 6.188 29.551 ( 4.924 0.000 -2.295) 5.432 29.659 ( 2.964 0.000 7.646) 8.200 29.798 ( -1.769 0.000 2.737) 3.259 29.965 ( -1.286 0.000 1.536) 2.003 30.399 ( 1.322 0.000 -7.731) 7.843 30.451 ( -5.042 0.000 -8.009) 9.464 30.755 ( -0.841 0.000 3.207) 3.315 30.993 ( 12.504 0.000 4.598) 13.322 31.575 ( 1.391 0.000 -2.492) 2.854 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 16.887 0.000 0.140) 16.887 1.548 ( 18.939 0.000 -4.787) 19.534 1.839 ( -16.269 0.000 -20.975) 26.545 1.979 ( -15.551 0.000 -4.754) 16.261 2.001 ( -11.178 0.000 -5.647) 12.523 2.130 ( -5.467 0.000 -16.063) 16.968 2.153 ( -1.751 0.000 -4.110) 4.467 2.422 ( 2.706 0.000 0.515) 2.754 2.509 ( -6.901 0.000 0.389) 6.912 2.653 ( 0.737 0.000 0.010) 0.737 2.679 ( 7.982 0.000 -12.255) 14.625 2.728 ( -4.261 0.000 7.634) 8.742 2.744 ( -2.312 0.000 2.334) 3.285 2.806 ( -3.106 0.000 0.068) 3.107 2.858 ( -6.668 0.000 2.695) 7.192 2.891 ( -1.602 0.000 -6.532) 6.726 2.963 ( 1.026 0.000 4.991) 5.095 3.049 ( 4.644 0.000 -0.765) 4.707 3.128 ( 11.938 0.000 10.178) 15.688 3.313 ( 5.228 0.000 1.363) 5.403 3.396 ( 10.902 0.000 5.632) 12.271 3.497 ( 2.512 0.000 3.251) 4.108 3.543 ( -2.385 0.000 -3.699) 4.401 3.559 ( 3.964 0.000 5.194) 6.534 3.745 ( -2.530 0.000 3.764) 4.536 3.806 ( 0.843 0.000 1.646) 1.850 3.914 ( 8.053 0.000 -0.585) 8.074 3.964 ( -0.179 0.000 2.095) 2.102 4.070 ( -1.897 0.000 6.362) 6.639 4.121 ( -0.170 0.000 -3.387) 3.392 4.240 ( 1.064 0.000 -8.499) 8.565 4.271 ( -5.144 0.000 5.903) 7.830 4.313 ( 5.738 0.000 -6.371) 8.574 4.350 ( 3.423 0.000 5.918) 6.836 4.419 ( -1.478 0.000 0.879) 1.720 4.488 ( -3.319 0.000 0.363) 3.339 4.582 ( -9.042 0.000 3.929) 9.859 4.625 ( 3.292 0.000 1.100) 3.471 4.649 ( 0.179 0.000 0.405) 0.443 4.709 ( 2.253 0.000 5.375) 5.828 4.821 ( 0.896 0.000 0.533) 1.042 4.949 ( -0.057 0.000 -2.527) 2.528 5.011 ( 4.648 0.000 2.820) 5.437 5.017 ( -4.821 0.000 -1.473) 5.041 5.031 ( -4.525 0.000 -2.026) 4.958 5.118 ( -0.867 0.000 0.338) 0.930 5.212 ( 2.571 0.000 0.682) 2.659 5.268 ( -1.421 0.000 -5.188) 5.379 5.408 ( 3.330 0.000 0.457) 3.362 5.417 ( -4.738 0.000 -1.845) 5.085 5.515 ( -0.249 0.000 4.269) 4.276 5.595 ( -6.698 0.000 -2.857) 7.282 5.606 ( 0.017 0.000 -2.360) 2.360 5.743 ( -2.402 0.000 5.954) 6.420 5.829 ( 1.977 0.000 -5.080) 5.452 5.880 ( -2.692 0.000 -3.789) 4.647 6.089 ( 2.875 0.000 -0.994) 3.042 6.090 ( -4.520 0.000 1.731) 4.840 6.174 ( 1.292 0.000 4.774) 4.946 6.201 ( 4.295 0.000 -2.578) 5.009 6.313 ( -0.357 0.000 -1.629) 1.667 6.349 ( -5.568 0.000 -4.106) 6.918 6.355 ( 1.782 0.000 3.806) 4.203 6.501 ( -0.023 0.000 4.253) 4.253 6.679 ( -0.872 0.000 0.756) 1.154 6.685 ( -3.670 0.000 -1.522) 3.973 7.039 ( -1.772 0.000 -3.535) 3.954 7.070 ( -0.427 0.000 0.771) 0.881 7.156 ( 0.052 0.000 -1.101) 1.103 7.285 ( 2.333 0.000 0.817) 2.472 7.403 ( -1.267 0.000 -3.794) 4.000 7.535 ( -2.933 0.000 6.218) 6.875 7.723 ( 1.048 0.000 2.957) 3.137 7.782 ( 1.028 0.000 4.290) 4.411 7.855 ( -1.006 0.000 3.064) 3.225 7.874 ( 3.929 0.000 -7.655) 8.605 8.108 ( -6.916 0.000 4.745) 8.387 8.131 ( -3.386 0.000 -2.181) 4.028 8.276 ( -0.307 0.000 -2.545) 2.564 8.361 ( -2.215 0.000 -3.011) 3.738 8.452 ( 0.759 0.000 6.244) 6.290 8.575 ( -6.590 0.000 0.063) 6.590 8.780 ( -0.307 0.000 -3.039) 3.055 8.784 ( -4.408 0.000 -6.401) 7.772 8.875 ( -1.100 0.000 -0.237) 1.125 8.886 ( -0.157 0.000 -2.357) 2.362 8.995 ( 1.224 0.000 2.383) 2.679 9.028 ( 2.435 0.000 -1.418) 2.818 9.236 ( -0.286 0.000 -0.507) 0.582 9.284 ( 2.098 0.000 3.545) 4.119 9.482 ( -2.500 0.000 -2.990) 3.898 9.559 ( -0.361 0.000 2.234) 2.263 9.650 ( 4.279 0.000 1.226) 4.451 9.860 ( 3.455 0.000 -4.181) 5.424 9.931 ( 1.607 0.000 0.140) 1.613 9.993 ( -2.282 0.000 1.303) 2.628 10.022 ( -5.236 0.000 -4.547) 6.934 10.184 ( -0.020 0.000 -4.397) 4.397 10.238 ( 3.699 0.000 3.303) 4.959 10.333 ( 1.441 0.000 -2.231) 2.656 10.612 ( -1.468 0.000 2.019) 2.496 10.811 ( 2.659 0.000 1.436) 3.022 10.825 ( -6.346 0.000 -4.628) 7.854 10.872 ( 0.506 0.000 0.696) 0.861 10.994 ( -1.475 0.000 -3.014) 3.356 11.080 ( -2.214 0.000 -5.932) 6.332 11.085 ( 6.911 0.000 1.659) 7.108 11.251 ( 0.153 0.000 4.964) 4.966 11.944 ( -0.446 0.000 -0.310) 0.544 12.027 ( 2.801 0.000 0.807) 2.915 12.049 ( -1.233 0.000 0.350) 1.282 12.124 ( 2.777 0.000 4.577) 5.354 12.335 ( 0.737 0.000 1.094) 1.318 12.373 ( 4.914 0.000 1.790) 5.230 12.435 ( 1.201 0.000 2.119) 2.436 12.457 ( -0.812 0.000 2.395) 2.529 12.490 ( -0.335 0.000 10.639) 10.644 12.543 ( -0.957 0.000 3.675) 3.797 12.639 ( -5.326 0.000 0.144) 5.328 12.783 ( 0.145 0.000 0.248) 0.288 12.845 ( 3.597 0.000 -3.412) 4.958 12.944 ( -1.156 0.000 1.384) 1.803 12.977 ( 1.647 0.000 -2.939) 3.370 13.116 ( -4.174 0.000 -4.089) 5.843 13.129 ( -4.036 0.000 1.487) 4.302 13.175 ( -0.426 0.000 -1.550) 1.608 13.408 ( 5.728 0.000 -4.280) 7.150 13.439 ( 3.663 0.000 3.959) 5.394 13.562 ( -0.202 0.000 1.313) 1.329 13.648 ( 0.795 0.000 -1.649) 1.831 13.745 ( 3.428 0.000 1.220) 3.639 13.816 ( 0.370 0.000 -4.106) 4.122 13.908 ( -7.045 0.000 -6.217) 9.396 14.006 ( -8.625 0.000 -5.206) 10.075 14.269 ( -4.317 0.000 9.198) 10.161 14.364 ( -2.152 0.000 2.890) 3.603 14.481 ( 4.268 0.000 3.649) 5.615 14.612 ( 1.798 0.000 4.668) 5.002 14.727 ( -1.863 0.000 -5.894) 6.181 14.810 ( 4.706 0.000 -6.490) 8.016 15.044 ( -1.038 0.000 -4.419) 4.540 15.157 ( 4.953 0.000 2.457) 5.529 15.359 ( 1.404 0.000 0.323) 1.441 15.370 ( 1.259 0.000 0.858) 1.524 15.399 ( -3.253 0.000 3.244) 4.594 15.462 ( -1.806 0.000 -1.447) 2.315 15.665 ( 2.084 0.000 -4.444) 4.909 15.798 ( -2.372 0.000 2.329) 3.325 15.958 ( 0.242 0.000 -4.126) 4.133 16.177 ( -4.187 0.000 0.027) 4.187 16.260 ( 3.945 0.000 5.774) 6.993 16.433 ( -1.347 0.000 0.678) 1.508 16.695 ( 4.497 0.000 1.457) 4.727 16.912 ( 1.164 0.000 -3.768) 3.944 16.931 ( 2.835 0.000 1.741) 3.327 17.014 ( 4.458 0.000 -1.820) 4.815 19.162 ( 0.812 0.000 -2.534) 2.661 19.252 ( 1.854 0.000 2.056) 2.768 19.455 ( -1.781 0.000 0.819) 1.960 19.600 ( -1.752 0.000 -2.615) 3.148 20.932 ( 1.784 0.000 1.853) 2.572 21.025 ( 2.391 0.000 -3.901) 4.575 21.055 ( -3.783 0.000 1.290) 3.997 21.172 ( -2.772 0.000 -0.830) 2.894 25.019 ( 0.456 0.000 0.371) 0.588 25.078 ( 0.399 0.000 1.444) 1.498 25.439 ( 0.670 0.000 0.702) 0.970 25.615 ( 2.783 0.000 6.663) 7.221 25.856 ( 0.225 0.000 -1.743) 1.757 25.920 ( -0.293 0.000 -3.034) 3.048 26.109 ( -0.677 0.000 1.098) 1.290 26.123 ( -0.266 0.000 1.162) 1.192 26.694 ( -0.978 0.000 -1.635) 1.905 26.997 ( -3.475 0.000 7.505) 8.271 27.061 ( 0.804 0.000 -5.585) 5.642 27.184 ( 4.511 0.000 9.580) 10.589 27.251 ( 3.735 0.000 -1.410) 3.992 27.251 ( 7.363 0.000 -2.334) 7.724 27.358 ( -2.502 0.000 2.766) 3.729 27.447 ( 3.837 0.000 2.773) 4.734 27.483 ( 0.658 0.000 -0.886) 1.104 27.514 ( 1.616 0.000 -1.632) 2.297 27.851 ( -2.067 0.000 -8.863) 9.101 27.945 ( -1.826 0.000 -1.887) 2.626 27.945 ( 3.216 0.000 5.641) 6.493 28.141 ( -2.881 0.000 -4.392) 5.253 28.237 ( 1.876 0.000 0.991) 2.121 28.337 ( -0.651 0.000 3.495) 3.556 28.398 ( 0.214 0.000 -0.953) 0.977 28.488 ( -3.429 0.000 1.468) 3.730 28.590 ( -12.841 0.000 -4.660) 13.661 28.601 ( -1.621 0.000 1.991) 2.568 28.668 ( -4.507 0.000 -3.512) 5.714 28.801 ( -4.799 0.000 -3.949) 6.215 29.244 ( -2.253 0.000 2.094) 3.076 29.597 ( 4.125 0.000 -2.327) 4.736 29.799 ( -0.802 0.000 1.649) 1.833 29.809 ( 1.807 0.000 9.972) 10.134 29.966 ( -0.423 0.000 1.026) 1.109 30.237 ( -6.294 0.000 -4.825) 7.930 30.323 ( -1.326 0.000 -9.994) 10.081 30.839 ( 3.803 0.000 3.519) 5.181 31.223 ( 8.441 0.000 3.991) 9.338 31.562 ( -0.530 0.000 -1.648) 1.731 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 0.000 -0.000) 0.000 1.523 ( -0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 -0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 -0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.407 ( -0.000 0.000 -0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.657 ( -0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 -0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 4.046 ( -0.000 0.000 -0.000) 0.000 4.069 ( 0.000 0.000 -0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.350 ( -0.000 0.000 -0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.502 ( -0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 -0.000) 0.000 4.884 ( -0.000 0.000 -0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 -0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.084 ( -0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 -0.000) 0.000 5.230 ( -0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 -0.000) 0.000 5.565 ( 0.000 0.000 -0.000) 0.000 5.566 ( -0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 -0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.228 ( -0.000 0.000 0.000) 0.000 6.235 ( -0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.344 ( -0.000 0.000 -0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 -0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 -0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 -0.000) 0.000 8.315 ( -0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 -0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.229 ( 0.000 0.000 -0.000) 0.000 9.336 ( 0.000 0.000 -0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 9.930 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.153 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.846 ( -0.000 0.000 0.000) 0.000 10.880 ( 0.000 0.000 -0.000) 0.000 10.999 ( -0.000 0.000 -0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.174 ( 0.000 0.000 -0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 -0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 12.559 ( -0.000 0.000 0.000) 0.000 12.583 ( 0.000 0.000 0.000) 0.000 12.772 ( 0.000 0.000 0.000) 0.000 12.868 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 -0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 -0.000) 0.000 13.559 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 13.851 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.636 ( 0.000 0.000 -0.000) 0.000 14.658 ( 0.000 0.000 -0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 15.016 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.379 ( 0.000 0.000 0.000) 0.000 15.384 ( 0.000 0.000 0.000) 0.000 15.403 ( -0.000 0.000 -0.000) 0.000 15.424 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.789 ( 0.000 0.000 0.000) 0.000 15.939 ( 0.000 0.000 0.000) 0.000 16.134 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 -0.000) 0.000 16.746 ( 0.000 0.000 -0.000) 0.000 16.894 ( 0.000 0.000 0.000) 0.000 16.966 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 19.159 ( 0.000 0.000 0.000) 0.000 19.285 ( 0.000 0.000 0.000) 0.000 19.442 ( 0.000 0.000 0.000) 0.000 19.567 ( 0.000 0.000 0.000) 0.000 20.959 ( 0.000 0.000 0.000) 0.000 21.020 ( 0.000 0.000 -0.000) 0.000 21.031 ( -0.000 0.000 0.000) 0.000 21.141 ( 0.000 0.000 0.000) 0.000 25.025 ( 0.000 0.000 0.000) 0.000 25.088 ( 0.000 0.000 0.000) 0.000 25.448 ( 0.000 0.000 0.000) 0.000 25.676 ( 0.000 0.000 0.000) 0.000 25.849 ( 0.000 0.000 0.000) 0.000 25.901 ( 0.000 0.000 0.000) 0.000 26.108 ( 0.000 0.000 -0.000) 0.000 26.126 ( 0.000 0.000 0.000) 0.000 26.674 ( 0.000 0.000 0.000) 0.000 27.011 ( -0.000 0.000 0.000) 0.000 27.034 ( 0.000 0.000 -0.000) 0.000 27.251 ( 0.000 0.000 0.000) 0.000 27.290 ( 0.000 0.000 0.000) 0.000 27.323 ( 0.000 0.000 0.000) 0.000 27.331 ( 0.000 0.000 0.000) 0.000 27.465 ( 0.000 0.000 -0.000) 0.000 27.517 ( 0.000 0.000 -0.000) 0.000 27.575 ( 0.000 0.000 0.000) 0.000 27.771 ( 0.000 0.000 0.000) 0.000 27.918 ( 0.000 0.000 0.000) 0.000 28.017 ( 0.000 0.000 0.000) 0.000 28.063 ( 0.000 0.000 0.000) 0.000 28.277 ( 0.000 0.000 0.000) 0.000 28.355 ( 0.000 0.000 -0.000) 0.000 28.398 ( 0.000 0.000 0.000) 0.000 28.415 ( -0.000 0.000 0.000) 0.000 28.464 ( 0.000 0.000 0.000) 0.000 28.602 ( 0.000 0.000 -0.000) 0.000 28.612 ( 0.000 0.000 0.000) 0.000 28.719 ( 0.000 0.000 0.000) 0.000 29.239 ( 0.000 0.000 0.000) 0.000 29.630 ( 0.000 0.000 0.000) 0.000 29.800 ( 0.000 0.000 0.000) 0.000 29.872 ( 0.000 0.000 0.000) 0.000 29.967 ( 0.000 0.000 0.000) 0.000 30.172 ( 0.000 0.000 0.000) 0.000 30.239 ( 0.000 0.000 -0.000) 0.000 30.895 ( 0.000 0.000 0.000) 0.000 31.326 ( 0.000 0.000 0.000) 0.000 31.541 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 25.476 0.000) 25.476 0.655 ( 0.000 35.564 0.000) 35.564 0.993 ( 0.000 51.414 0.000) 51.414 1.612 ( 0.000 -13.555 0.000) 13.555 2.155 ( 0.000 -14.519 0.000) 14.519 2.174 ( 0.000 -9.902 0.000) 9.902 2.201 ( 0.000 0.157 0.000) 0.157 2.305 ( 0.000 8.350 0.000) 8.350 2.359 ( 0.000 -1.768 0.000) 1.768 2.545 ( 0.000 -3.261 0.000) 3.261 2.584 ( 0.000 -6.210 0.000) 6.210 2.765 ( 0.000 0.795 0.000) 0.795 2.794 ( 0.000 0.479 0.000) 0.479 2.801 ( 0.000 0.738 0.000) 0.738 2.846 ( 0.000 7.804 0.000) 7.804 2.933 ( 0.000 -0.452 0.000) 0.452 2.986 ( 0.000 -2.364 0.000) 2.364 3.012 ( 0.000 2.505 0.000) 2.505 3.118 ( 0.000 0.655 0.000) 0.655 3.265 ( 0.000 3.954 0.000) 3.954 3.363 ( 0.000 -1.238 0.000) 1.238 3.408 ( 0.000 -1.186 0.000) 1.186 3.434 ( 0.000 9.771 0.000) 9.771 3.572 ( 0.000 -0.611 0.000) 0.611 3.690 ( 0.000 -5.212 0.000) 5.212 3.765 ( 0.000 -2.449 0.000) 2.449 3.865 ( 0.000 -5.045 0.000) 5.045 3.930 ( 0.000 5.827 0.000) 5.827 4.031 ( 0.000 2.404 0.000) 2.404 4.058 ( 0.000 -0.090 0.000) 0.090 4.207 ( 0.000 3.130 0.000) 3.130 4.273 ( 0.000 -1.242 0.000) 1.242 4.325 ( 0.000 1.206 0.000) 1.206 4.399 ( 0.000 7.480 0.000) 7.480 4.483 ( 0.000 -6.898 0.000) 6.898 4.564 ( 0.000 -5.148 0.000) 5.148 4.647 ( 0.000 -6.232 0.000) 6.232 4.674 ( 0.000 1.126 0.000) 1.126 4.746 ( 0.000 -0.848 0.000) 0.848 4.817 ( 0.000 7.464 0.000) 7.464 4.877 ( 0.000 -3.354 0.000) 3.354 4.902 ( 0.000 8.462 0.000) 8.462 5.030 ( 0.000 -0.992 0.000) 0.992 5.068 ( 0.000 -5.109 0.000) 5.109 5.251 ( 0.000 -2.067 0.000) 2.067 5.279 ( 0.000 1.761 0.000) 1.761 5.379 ( 0.000 0.849 0.000) 0.849 5.392 ( 0.000 1.624 0.000) 1.624 5.435 ( 0.000 2.184 0.000) 2.184 5.476 ( 0.000 0.923 0.000) 0.923 5.531 ( 0.000 5.813 0.000) 5.813 5.707 ( 0.000 -3.699 0.000) 3.699 5.755 ( 0.000 -6.390 0.000) 6.390 5.804 ( 0.000 -2.814 0.000) 2.814 5.927 ( 0.000 1.324 0.000) 1.324 5.941 ( 0.000 -5.119 0.000) 5.119 6.038 ( 0.000 -6.161 0.000) 6.161 6.048 ( 0.000 2.294 0.000) 2.294 6.162 ( 0.000 -1.692 0.000) 1.692 6.164 ( 0.000 0.964 0.000) 0.964 6.285 ( 0.000 5.458 0.000) 5.458 6.431 ( 0.000 -2.852 0.000) 2.852 6.474 ( 0.000 -0.803 0.000) 0.803 6.629 ( 0.000 -8.326 0.000) 8.326 6.698 ( 0.000 0.566 0.000) 0.566 6.754 ( 0.000 -1.868 0.000) 1.868 6.925 ( 0.000 0.037 0.000) 0.037 7.105 ( 0.000 -2.455 0.000) 2.455 7.249 ( 0.000 4.050 0.000) 4.050 7.256 ( 0.000 4.706 0.000) 4.706 7.446 ( 0.000 2.306 0.000) 2.306 7.492 ( 0.000 1.993 0.000) 1.993 7.641 ( 0.000 -0.921 0.000) 0.921 7.720 ( 0.000 -2.350 0.000) 2.350 7.756 ( 0.000 1.826 0.000) 1.826 7.846 ( 0.000 -2.175 0.000) 2.175 8.016 ( 0.000 7.074 0.000) 7.074 8.336 ( 0.000 -3.064 0.000) 3.064 8.515 ( 0.000 2.701 0.000) 2.701 8.566 ( 0.000 7.785 0.000) 7.785 8.638 ( 0.000 -0.530 0.000) 0.530 8.720 ( 0.000 0.588 0.000) 0.588 8.760 ( 0.000 0.368 0.000) 0.368 8.852 ( 0.000 6.832 0.000) 6.832 8.944 ( 0.000 -5.450 0.000) 5.450 8.978 ( 0.000 -3.822 0.000) 3.822 9.050 ( 0.000 -3.191 0.000) 3.191 9.206 ( 0.000 2.382 0.000) 2.382 9.214 ( 0.000 -6.133 0.000) 6.133 9.243 ( 0.000 3.788 0.000) 3.788 9.335 ( 0.000 -0.045 0.000) 0.045 9.387 ( 0.000 0.931 0.000) 0.931 9.538 ( 0.000 0.736 0.000) 0.736 9.686 ( 0.000 8.017 0.000) 8.017 9.849 ( 0.000 -7.577 0.000) 7.577 9.935 ( 0.000 -5.554 0.000) 5.554 10.149 ( 0.000 -0.682 0.000) 0.682 10.168 ( 0.000 -3.047 0.000) 3.047 10.200 ( 0.000 -0.544 0.000) 0.544 10.320 ( 0.000 1.095 0.000) 1.095 10.498 ( 0.000 1.706 0.000) 1.706 10.733 ( 0.000 -4.355 0.000) 4.355 10.763 ( 0.000 -6.971 0.000) 6.971 10.792 ( 0.000 -0.782 0.000) 0.782 10.981 ( 0.000 1.607 0.000) 1.607 11.179 ( 0.000 -5.347 0.000) 5.347 11.300 ( 0.000 -0.059 0.000) 0.059 11.374 ( 0.000 0.387 0.000) 0.387 11.720 ( 0.000 5.205 0.000) 5.205 11.932 ( 0.000 4.495 0.000) 4.495 12.064 ( 0.000 -9.365 0.000) 9.365 12.124 ( 0.000 7.027 0.000) 7.027 12.205 ( 0.000 -1.744 0.000) 1.744 12.289 ( 0.000 4.740 0.000) 4.740 12.345 ( 0.000 1.919 0.000) 1.919 12.376 ( 0.000 1.207 0.000) 1.207 12.499 ( 0.000 2.347 0.000) 2.347 12.647 ( 0.000 5.422 0.000) 5.422 12.743 ( 0.000 -6.075 0.000) 6.075 12.859 ( 0.000 -1.245 0.000) 1.245 12.887 ( 0.000 -10.981 0.000) 10.981 12.988 ( 0.000 2.386 0.000) 2.386 13.032 ( 0.000 -3.391 0.000) 3.391 13.036 ( 0.000 1.055 0.000) 1.055 13.175 ( 0.000 1.374 0.000) 1.374 13.268 ( 0.000 -2.134 0.000) 2.134 13.300 ( 0.000 0.873 0.000) 0.873 13.376 ( 0.000 4.515 0.000) 4.515 13.397 ( 0.000 -4.760 0.000) 4.760 13.677 ( 0.000 -0.005 0.000) 0.005 13.706 ( 0.000 4.623 0.000) 4.623 13.867 ( 0.000 -0.171 0.000) 0.171 14.014 ( 0.000 -6.193 0.000) 6.193 14.208 ( 0.000 -8.917 0.000) 8.917 14.282 ( 0.000 9.848 0.000) 9.848 14.338 ( 0.000 5.482 0.000) 5.482 14.606 ( 0.000 -0.004 0.000) 0.004 14.672 ( 0.000 6.032 0.000) 6.032 14.682 ( 0.000 5.301 0.000) 5.301 14.976 ( 0.000 -4.683 0.000) 4.683 15.267 ( 0.000 2.980 0.000) 2.980 15.387 ( 0.000 -0.529 0.000) 0.529 15.438 ( 0.000 6.427 0.000) 6.427 15.470 ( 0.000 -2.195 0.000) 2.195 15.532 ( 0.000 -2.773 0.000) 2.773 15.548 ( 0.000 3.341 0.000) 3.341 15.759 ( 0.000 3.804 0.000) 3.804 15.899 ( 0.000 4.142 0.000) 4.142 16.061 ( 0.000 -6.101 0.000) 6.101 16.094 ( 0.000 0.178 0.000) 0.178 16.235 ( 0.000 -10.156 0.000) 10.156 16.377 ( 0.000 -1.636 0.000) 1.636 16.586 ( 0.000 -0.288 0.000) 0.288 16.662 ( 0.000 -1.186 0.000) 1.186 16.757 ( 0.000 4.850 0.000) 4.850 16.872 ( 0.000 -0.441 0.000) 0.441 19.075 ( 0.000 3.197 0.000) 3.197 19.276 ( 0.000 4.811 0.000) 4.811 19.421 ( 0.000 -5.641 0.000) 5.641 19.764 ( 0.000 -8.674 0.000) 8.674 20.842 ( 0.000 5.705 0.000) 5.705 21.027 ( 0.000 2.310 0.000) 2.310 21.110 ( 0.000 -2.016 0.000) 2.016 21.162 ( 0.000 -1.284 0.000) 1.284 24.980 ( 0.000 -0.171 0.000) 0.171 25.031 ( 0.000 -1.663 0.000) 1.663 25.266 ( 0.000 1.393 0.000) 1.393 25.361 ( 0.000 -0.933 0.000) 0.933 26.030 ( 0.000 0.867 0.000) 0.867 26.068 ( 0.000 -0.330 0.000) 0.330 26.079 ( 0.000 2.041 0.000) 2.041 26.195 ( 0.000 -0.558 0.000) 0.558 26.443 ( 0.000 2.846 0.000) 2.846 26.687 ( 0.000 -3.309 0.000) 3.309 26.972 ( 0.000 1.698 0.000) 1.698 27.071 ( 0.000 -0.196 0.000) 0.196 27.091 ( 0.000 1.395 0.000) 1.395 27.158 ( 0.000 -2.290 0.000) 2.290 27.306 ( 0.000 2.306 0.000) 2.306 27.479 ( 0.000 3.016 0.000) 3.016 27.494 ( 0.000 -0.720 0.000) 0.720 27.714 ( 0.000 -3.495 0.000) 3.495 27.880 ( 0.000 0.516 0.000) 0.516 27.982 ( 0.000 -1.930 0.000) 1.930 28.139 ( 0.000 2.989 0.000) 2.989 28.199 ( 0.000 4.234 0.000) 4.234 28.227 ( 0.000 1.765 0.000) 1.765 28.344 ( 0.000 -2.175 0.000) 2.175 28.462 ( 0.000 -1.307 0.000) 1.307 28.479 ( 0.000 -5.727 0.000) 5.727 28.691 ( 0.000 -1.183 0.000) 1.183 28.873 ( 0.000 -5.892 0.000) 5.892 28.966 ( 0.000 9.668 0.000) 9.668 29.360 ( 0.000 3.854 0.000) 3.854 29.369 ( 0.000 -0.186 0.000) 0.186 29.542 ( 0.000 -3.825 0.000) 3.825 29.673 ( 0.000 1.302 0.000) 1.302 29.756 ( 0.000 -2.902 0.000) 2.902 29.869 ( 0.000 3.360 0.000) 3.360 30.017 ( 0.000 -1.555 0.000) 1.555 30.618 ( 0.000 0.572 0.000) 0.572 30.676 ( 0.000 0.963 0.000) 0.963 30.891 ( 0.000 0.175 0.000) 0.175 31.141 ( 0.000 -4.124 0.000) 4.124 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 11.941 27.542 7.690) 30.988 0.985 ( 22.885 25.459 6.511) 34.847 1.455 ( 37.699 22.834 27.620) 52.014 1.851 ( 14.047 -9.819 15.958) 23.418 2.152 ( 2.681 -10.805 -3.111) 11.559 2.195 ( -2.024 -10.053 4.960) 11.391 2.251 ( 0.086 -1.108 7.029) 7.116 2.381 ( 2.690 -2.561 -2.385) 4.414 2.433 ( 9.640 5.468 4.619) 12.007 2.534 ( -2.091 -1.808 -1.058) 2.960 2.588 ( 0.477 -3.503 -0.995) 3.673 2.726 ( -2.097 2.878 -5.650) 6.679 2.792 ( -1.708 -4.079 -2.803) 5.235 2.823 ( 0.854 -0.373 -1.522) 1.785 2.873 ( 3.717 3.877 1.773) 5.656 2.882 ( -2.325 -0.197 -3.951) 4.589 2.968 ( -2.156 2.748 -0.908) 3.609 3.025 ( 0.234 -4.921 3.428) 6.001 3.156 ( 2.425 2.626 5.473) 6.537 3.244 ( -2.753 4.215 -0.714) 5.085 3.303 ( -5.052 0.791 -2.619) 5.745 3.372 ( -0.163 5.193 1.838) 5.511 3.444 ( 1.314 4.268 -2.591) 5.163 3.655 ( -2.413 3.880 3.749) 5.910 3.728 ( 9.343 -9.325 2.491) 13.433 3.789 ( 2.097 -3.073 1.310) 3.944 3.885 ( -0.828 1.446 0.683) 1.801 3.954 ( 3.578 0.035 4.058) 5.410 3.975 ( -3.202 3.405 -3.899) 6.087 4.037 ( -1.647 1.370 -0.560) 2.214 4.161 ( -1.769 3.421 -3.241) 5.033 4.217 ( -2.925 1.990 -2.084) 4.105 4.265 ( -3.994 0.589 -0.301) 4.049 4.400 ( 0.704 1.390 -0.511) 1.640 4.482 ( -1.834 -2.729 -1.130) 3.477 4.506 ( -1.175 -3.482 -3.228) 4.891 4.610 ( -1.862 -0.243 -1.519) 2.415 4.654 ( -1.922 -5.848 0.195) 6.159 4.722 ( -3.373 -0.044 -1.479) 3.683 4.793 ( -2.359 6.185 5.079) 8.344 4.897 ( -0.623 2.736 -3.219) 4.270 4.908 ( -0.286 -0.408 2.967) 3.009 5.016 ( -2.751 -4.681 1.087) 5.537 5.063 ( 0.014 -0.592 1.622) 1.726 5.186 ( -0.716 -2.083 -8.381) 8.665 5.279 ( -1.711 4.642 -2.339) 5.472 5.350 ( -0.847 1.745 -5.203) 5.553 5.390 ( -3.915 -0.786 1.711) 4.344 5.422 ( 0.633 0.342 -3.051) 3.134 5.504 ( 3.256 1.028 -0.058) 3.415 5.519 ( 0.726 2.596 -3.317) 4.274 5.592 ( -4.434 -1.279 -6.161) 7.698 5.741 ( -2.849 -5.284 -0.390) 6.016 5.838 ( -1.006 -3.344 1.269) 3.715 5.884 ( -0.382 -2.893 0.089) 2.919 5.933 ( -1.852 1.899 2.191) 3.441 6.028 ( -3.033 -2.803 4.871) 6.386 6.076 ( 2.137 -2.325 -3.183) 4.483 6.130 ( 1.724 -2.415 -4.432) 5.334 6.217 ( 0.413 0.666 5.028) 5.089 6.285 ( 0.819 2.918 -1.789) 3.520 6.330 ( -8.884 0.111 -0.792) 8.920 6.449 ( -0.814 -1.215 0.558) 1.566 6.480 ( -1.715 -0.768 -0.959) 2.110 6.712 ( -0.485 -0.924 -0.175) 1.058 6.873 ( 1.836 -5.957 -0.497) 6.254 6.917 ( -0.732 1.275 3.243) 3.560 7.166 ( 3.721 6.518 -1.941) 7.752 7.208 ( 0.636 0.318 -0.085) 0.717 7.328 ( 0.321 6.694 -0.229) 6.706 7.418 ( -2.626 -4.662 2.764) 6.022 7.504 ( 2.168 1.837 -3.055) 4.173 7.628 ( -0.300 0.147 3.790) 3.805 7.708 ( -2.384 4.192 0.898) 4.906 7.770 ( 2.048 -2.517 1.660) 3.645 7.968 ( 3.989 -2.758 -4.755) 6.792 8.063 ( -6.106 -3.271 19.946) 21.115 8.342 ( 0.049 -1.557 -0.055) 1.558 8.418 ( -6.915 3.941 -0.266) 7.963 8.487 ( -6.724 2.122 1.713) 7.256 8.616 ( -0.598 4.763 0.299) 4.809 8.640 ( -5.198 -0.683 -2.413) 5.772 8.795 ( -0.415 -2.448 -2.337) 3.410 8.862 ( 5.114 3.582 -5.059) 8.037 8.873 ( -1.521 -0.627 -0.140) 1.651 8.981 ( -2.071 -2.966 4.199) 5.543 9.072 ( -4.841 -1.048 2.613) 5.600 9.164 ( -3.787 3.229 -0.736) 5.031 9.240 ( 2.381 2.246 -3.360) 4.691 9.263 ( -0.242 -0.726 -3.616) 3.696 9.386 ( 8.816 -7.386 -1.946) 11.665 9.462 ( 5.428 -1.836 -3.371) 6.648 9.568 ( 2.170 0.542 1.396) 2.636 9.745 ( 6.266 4.122 -1.571) 7.663 9.830 ( -1.429 -7.834 0.269) 7.968 9.977 ( 0.129 -4.482 4.094) 6.072 10.120 ( -2.472 -0.071 1.777) 3.045 10.176 ( 1.904 -3.642 -2.280) 4.700 10.250 ( 5.319 0.593 -3.260) 6.266 10.307 ( -0.942 0.975 -0.260) 1.380 10.549 ( -0.034 -3.566 5.736) 6.754 10.730 ( -0.462 -2.406 -0.489) 2.498 10.764 ( -0.688 -7.239 2.538) 7.701 10.825 ( 2.907 -1.318 1.777) 3.653 11.029 ( 2.630 0.918 3.759) 4.679 11.159 ( -0.140 -2.982 -3.744) 4.788 11.232 ( -4.403 1.169 -2.768) 5.331 11.317 ( -3.030 1.001 -6.993) 7.686 11.784 ( 4.071 2.261 4.215) 6.281 11.925 ( 0.188 1.955 -0.073) 1.966 12.064 ( -1.310 -5.379 0.834) 5.599 12.157 ( -0.768 1.218 5.251) 5.445 12.222 ( 0.389 0.768 2.810) 2.939 12.255 ( -3.374 3.724 1.068) 5.137 12.307 ( -1.052 2.481 1.669) 3.169 12.426 ( -3.542 6.874 2.484) 8.122 12.475 ( 1.961 -0.091 -0.592) 2.051 12.622 ( -1.272 6.029 0.853) 6.221 12.696 ( -3.393 -3.777 -2.477) 5.649 12.799 ( -4.286 -4.216 1.872) 6.296 12.880 ( -1.303 -8.905 -1.574) 9.136 12.943 ( 0.086 5.175 -5.704) 7.703 13.042 ( -0.359 0.084 1.875) 1.911 13.048 ( 0.435 0.933 -2.472) 2.677 13.171 ( 4.199 2.598 1.266) 5.097 13.226 ( -2.344 3.075 -0.416) 3.889 13.281 ( 1.675 -4.252 -3.168) 5.560 13.418 ( 3.668 -4.920 8.854) 10.773 13.505 ( 4.544 -1.335 2.948) 5.579 13.555 ( -11.413 -4.689 -1.757) 12.463 13.733 ( 1.544 5.424 2.843) 6.316 13.821 ( -3.521 4.403 0.861) 5.703 14.099 ( -1.697 -5.992 7.260) 9.565 14.208 ( 3.820 -2.225 -2.856) 5.263 14.309 ( 3.267 7.742 -1.186) 8.486 14.395 ( 2.756 2.233 -0.327) 3.562 14.518 ( -6.074 1.533 -2.613) 6.788 14.628 ( -2.834 3.517 0.558) 4.551 14.692 ( 1.049 3.319 -4.178) 5.438 14.960 ( -1.927 -2.247 0.762) 3.056 15.224 ( -9.584 12.282 -4.381) 16.183 15.261 ( 0.258 5.099 -5.069) 7.194 15.360 ( -2.142 -1.084 -0.777) 2.523 15.436 ( -1.947 8.297 -1.778) 8.706 15.512 ( -1.281 4.641 -2.473) 5.412 15.568 ( 1.345 -1.405 -3.450) 3.961 15.657 ( 6.285 1.489 -12.140) 13.751 15.911 ( -1.881 4.762 -0.442) 5.139 16.024 ( -0.190 -4.123 -3.846) 5.641 16.130 ( 1.082 0.735 0.778) 1.522 16.224 ( -2.354 -8.445 2.070) 9.008 16.399 ( 3.733 0.686 -2.780) 4.705 16.490 ( -4.315 3.104 3.087) 6.147 16.738 ( 5.765 0.744 -1.514) 6.007 16.773 ( 4.757 -3.422 -1.416) 6.028 16.815 ( 4.793 1.772 -1.274) 5.266 19.140 ( 3.312 -3.060 -4.289) 6.223 19.286 ( 2.868 2.970 -3.357) 5.321 19.415 ( -1.563 -4.986 1.793) 5.524 19.689 ( -2.175 -4.028 -3.833) 5.971 20.860 ( 1.568 5.245 1.233) 5.612 21.021 ( 2.767 3.336 -2.047) 4.793 21.138 ( -1.975 -2.215 1.076) 3.157 21.236 ( -0.213 -4.355 5.573) 7.076 25.004 ( 0.355 -0.300 3.099) 3.134 25.008 ( -1.006 0.081 0.507) 1.129 25.318 ( 3.018 -0.015 4.320) 5.270 25.376 ( 1.394 -0.826 0.660) 1.750 25.980 ( -2.199 3.921 -5.609) 7.188 26.033 ( 0.181 1.135 -4.880) 5.014 26.088 ( -0.504 1.641 3.487) 3.886 26.110 ( -1.402 1.531 2.866) 3.539 26.630 ( 4.275 -1.466 5.904) 7.435 26.786 ( 4.112 -8.601 5.349) 10.931 26.971 ( 0.085 0.779 0.181) 0.804 27.079 ( 3.686 -0.101 -3.523) 5.099 27.110 ( 2.292 0.043 -1.704) 2.857 27.166 ( -1.107 -2.174 3.041) 3.899 27.302 ( 0.958 2.125 -1.796) 2.942 27.468 ( -0.302 4.120 -0.558) 4.169 27.500 ( 0.670 -1.705 -0.827) 2.010 27.681 ( -1.868 6.180 -6.493) 9.156 27.776 ( -1.647 -0.272 2.325) 2.862 28.008 ( -0.732 -5.123 -0.153) 5.177 28.107 ( -2.005 3.478 -2.602) 4.784 28.184 ( -0.310 2.870 -1.687) 3.344 28.238 ( -1.465 2.603 7.335) 7.919 28.309 ( -2.222 3.025 1.996) 4.251 28.445 ( -1.946 -6.087 -1.623) 6.594 28.481 ( -1.057 -1.250 2.375) 2.885 28.663 ( -3.339 -0.627 0.879) 3.510 28.820 ( -3.977 -4.869 0.956) 6.359 28.906 ( -1.720 4.256 -1.596) 4.859 29.231 ( -10.141 -0.870 -1.210) 10.250 29.386 ( -6.092 3.376 -0.117) 6.966 29.530 ( 6.622 6.240 2.097) 9.337 29.646 ( -0.458 2.148 -1.099) 2.456 29.819 ( -1.894 1.206 2.990) 3.739 29.985 ( -2.871 -0.475 2.772) 4.019 30.175 ( 14.177 -12.967 0.568) 19.221 30.556 ( -4.841 -2.683 -3.380) 6.485 30.726 ( -0.384 -5.691 1.484) 5.893 30.862 ( 4.393 6.768 0.445) 8.081 31.369 ( 12.507 -13.158 0.134) 18.154 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 15.933 16.882 6.637) 24.143 1.389 ( 23.776 21.434 -3.494) 32.201 2.085 ( -5.129 -9.775 -1.259) 11.110 2.148 ( -1.563 -6.457 1.211) 6.753 2.208 ( -3.385 -0.782 0.278) 3.485 2.293 ( -0.662 0.789 3.568) 3.713 2.343 ( 4.454 -3.923 5.921) 8.383 2.373 ( -0.220 -1.514 -7.603) 7.756 2.437 ( 19.537 5.879 6.628) 21.452 2.519 ( 0.457 -3.494 -3.645) 5.070 2.612 ( -3.603 -1.769 -4.411) 5.964 2.653 ( 3.781 -0.373 0.775) 3.877 2.722 ( 3.348 -2.083 -5.045) 6.403 2.777 ( -0.033 1.941 0.844) 2.117 2.864 ( -0.623 0.069 1.041) 1.215 2.932 ( 0.187 -0.773 2.016) 2.167 2.980 ( 3.210 3.223 2.906) 5.398 3.041 ( -1.302 -3.550 2.132) 4.341 3.159 ( -4.632 4.804 -3.061) 7.341 3.165 ( -3.706 7.391 -4.924) 9.624 3.298 ( 3.673 1.707 7.004) 8.090 3.430 ( 6.622 3.673 -0.788) 7.613 3.472 ( 3.357 2.319 1.975) 4.533 3.615 ( -4.503 5.500 3.315) 7.843 3.789 ( -2.293 -1.177 -1.615) 3.042 3.854 ( -0.381 3.153 -4.771) 5.731 3.880 ( 0.722 1.363 4.235) 4.507 4.023 ( -0.013 2.842 0.660) 2.918 4.042 ( 0.488 -2.097 0.306) 2.175 4.072 ( 5.841 -0.384 7.368) 9.410 4.095 ( 6.812 -1.452 3.753) 7.912 4.219 ( 2.862 3.708 2.994) 5.560 4.241 ( 0.228 -1.854 0.867) 2.059 4.372 ( -3.353 -0.142 -0.042) 3.356 4.466 ( -1.702 -3.651 -0.156) 4.031 4.480 ( -6.244 -3.793 -5.453) 9.116 4.485 ( 4.097 -4.117 -2.940) 6.510 4.600 ( -4.192 -1.600 2.336) 5.059 4.693 ( -2.521 -0.932 0.522) 2.738 4.785 ( -6.002 3.135 4.092) 7.912 4.841 ( -1.574 -5.634 2.044) 6.197 4.896 ( -3.026 1.740 0.190) 3.496 4.968 ( -2.315 -2.009 -2.687) 4.077 5.082 ( 0.158 -2.999 -0.854) 3.122 5.127 ( 1.704 5.178 -2.052) 5.825 5.208 ( -2.503 4.509 -3.938) 6.489 5.277 ( -0.419 4.110 -4.707) 6.263 5.340 ( -1.488 -0.717 -6.611) 6.814 5.356 ( -0.941 0.683 1.515) 1.910 5.493 ( -1.045 -0.024 -3.446) 3.601 5.505 ( -1.715 0.560 0.415) 1.852 5.569 ( 2.544 -1.986 0.262) 3.238 5.661 ( -5.216 -5.088 -0.676) 7.318 5.768 ( -5.797 -2.379 2.369) 6.699 5.903 ( -2.065 1.657 0.049) 2.648 5.930 ( 2.296 -1.900 -4.575) 5.460 6.005 ( -2.235 -4.723 -0.710) 5.273 6.077 ( -1.894 -3.640 4.010) 5.737 6.122 ( 2.914 -2.177 -2.679) 4.518 6.193 ( -1.507 0.035 -4.078) 4.348 6.277 ( -0.479 0.524 3.219) 3.297 6.314 ( 2.077 1.139 1.051) 2.591 6.434 ( -3.007 -2.632 -1.816) 4.389 6.451 ( -1.348 -1.533 3.688) 4.215 6.694 ( -1.100 0.353 -0.864) 1.443 6.815 ( -4.715 1.994 0.535) 5.147 6.993 ( 2.591 -1.691 3.563) 4.718 7.164 ( -2.257 4.667 -2.132) 5.605 7.210 ( 0.698 5.623 -1.723) 5.923 7.303 ( -0.339 2.855 -2.506) 3.814 7.433 ( -1.087 -6.723 7.065) 9.813 7.482 ( -0.432 1.295 -3.944) 4.174 7.696 ( 0.020 0.294 3.615) 3.627 7.704 ( 0.226 2.322 5.408) 5.890 7.806 ( 0.051 -3.346 2.185) 3.997 7.935 ( 2.901 2.197 -10.470) 11.085 8.119 ( -7.266 -4.189 14.615) 16.850 8.288 ( -4.579 3.588 -0.663) 5.855 8.344 ( -3.006 0.018 -0.497) 3.047 8.405 ( -3.514 2.618 -0.491) 4.409 8.499 ( -4.386 2.748 -4.832) 7.081 8.635 ( -1.765 -0.028 3.494) 3.914 8.755 ( -0.467 -8.494 -2.399) 8.839 8.855 ( -0.097 2.001 -1.919) 2.774 8.905 ( 3.710 4.894 -3.660) 7.149 8.964 ( -2.345 -3.678 2.690) 5.125 8.987 ( -5.419 1.050 -1.772) 5.797 9.089 ( -3.239 5.485 -1.128) 6.469 9.239 ( 2.104 -0.521 -2.097) 3.016 9.266 ( 3.435 2.682 -2.739) 5.147 9.473 ( -0.673 -2.484 0.716) 2.672 9.493 ( 3.050 -3.402 1.352) 4.765 9.608 ( 2.261 0.321 -0.871) 2.445 9.819 ( 3.125 -3.839 -0.293) 4.959 9.829 ( 1.927 -5.004 -2.183) 5.789 9.985 ( -1.730 -0.800 1.106) 2.204 10.111 ( -0.336 -1.033 -0.223) 1.109 10.185 ( 2.766 -1.284 -2.556) 3.979 10.262 ( 0.706 3.574 -3.884) 5.325 10.317 ( 2.124 0.380 -0.810) 2.305 10.573 ( -2.817 -3.670 4.765) 6.641 10.734 ( 1.898 -2.504 -0.652) 3.209 10.781 ( -1.181 -6.609 2.753) 7.256 10.895 ( 3.539 -4.951 -1.194) 6.202 11.033 ( -3.922 2.142 -4.647) 6.447 11.146 ( -3.447 3.858 -5.935) 7.874 11.170 ( 2.061 2.650 5.970) 6.850 11.195 ( 0.032 0.713 -2.200) 2.313 11.898 ( 4.491 -0.677 1.519) 4.789 11.935 ( 0.079 -1.902 1.092) 2.195 12.063 ( 0.468 -0.193 1.638) 1.714 12.133 ( -3.938 1.230 2.409) 4.778 12.255 ( 0.169 -2.443 4.720) 5.317 12.297 ( 0.743 0.665 5.647) 5.734 12.326 ( 1.577 2.758 1.298) 3.432 12.418 ( -0.451 2.419 5.608) 6.124 12.471 ( -1.915 -1.623 -0.885) 2.661 12.611 ( -4.594 3.203 4.452) 7.154 12.662 ( 1.543 -2.032 -0.314) 2.571 12.746 ( -2.811 -0.812 -0.524) 2.972 12.837 ( -1.013 -8.286 -0.917) 8.398 12.898 ( 0.476 3.571 -3.566) 5.069 13.053 ( -1.369 2.663 -0.084) 2.996 13.087 ( 5.436 -0.973 -1.339) 5.682 13.145 ( -2.979 -1.505 0.515) 3.377 13.255 ( 1.620 -2.445 -6.188) 6.848 13.334 ( 4.092 -1.843 3.026) 5.413 13.340 ( -7.028 -4.607 -2.343) 8.724 13.592 ( 7.481 -1.410 2.810) 8.115 13.601 ( 4.134 0.267 1.662) 4.463 13.753 ( -4.485 5.505 2.457) 7.514 13.802 ( 2.690 4.771 0.865) 5.545 14.098 ( -4.429 -3.850 2.885) 6.540 14.201 ( -4.753 -3.162 -0.323) 5.718 14.244 ( -7.960 3.669 -4.152) 9.699 14.394 ( -0.899 1.757 -0.424) 2.019 14.497 ( 1.915 7.624 3.783) 8.724 14.584 ( -0.815 1.200 2.427) 2.827 14.685 ( 3.204 1.197 -4.937) 6.006 14.947 ( 1.301 1.475 -1.994) 2.801 15.085 ( -1.323 7.909 -6.575) 10.370 15.223 ( 1.108 7.337 -4.401) 8.627 15.330 ( -1.180 -0.796 1.759) 2.263 15.386 ( 0.002 4.373 -3.303) 5.480 15.482 ( -2.303 4.524 1.413) 5.269 15.534 ( -1.992 2.113 -1.122) 3.113 15.676 ( 4.949 0.983 -5.682) 7.599 15.852 ( -4.491 2.914 1.354) 5.522 15.983 ( 0.841 -2.466 -5.402) 5.998 16.143 ( -1.768 -3.824 2.200) 4.753 16.225 ( 1.484 0.897 1.575) 2.342 16.434 ( 1.156 1.071 1.135) 1.942 16.534 ( 2.987 -4.082 3.146) 5.957 16.827 ( 5.156 -3.088 0.611) 6.041 16.872 ( 3.449 -1.891 -2.305) 4.559 16.886 ( 7.242 -3.741 -1.083) 8.223 19.135 ( 1.310 -1.775 -2.380) 3.245 19.288 ( 1.295 4.336 -2.580) 5.209 19.408 ( -1.867 -5.910 2.325) 6.620 19.626 ( -1.999 -3.895 -2.455) 5.019 20.909 ( 2.324 3.967 1.348) 4.791 21.049 ( 2.585 3.438 -2.890) 5.182 21.105 ( -1.819 -1.059 -0.463) 2.155 21.229 ( -3.502 -1.109 1.490) 3.965 25.012 ( 0.561 0.605 0.456) 0.942 25.044 ( 0.407 -0.402 3.058) 3.111 25.401 ( 1.788 -1.048 1.258) 2.424 25.449 ( 3.923 -2.130 5.746) 7.276 25.914 ( -0.481 3.455 -3.406) 4.876 25.985 ( -0.348 1.655 -4.006) 4.348 26.117 ( -0.200 0.841 2.237) 2.398 26.119 ( -0.944 0.990 2.546) 2.890 26.713 ( 0.267 -0.065 2.216) 2.233 26.886 ( 0.917 -6.491 7.033) 9.614 27.006 ( 2.247 0.277 5.117) 5.595 27.097 ( -0.651 -1.443 -2.728) 3.154 27.137 ( 5.965 -0.635 -2.043) 6.337 27.205 ( 4.538 -0.402 -1.643) 4.842 27.315 ( 2.143 0.770 -0.438) 2.319 27.462 ( -1.233 1.459 -0.334) 1.939 27.500 ( 1.429 2.781 0.384) 3.150 27.608 ( -1.348 7.352 -3.212) 8.135 27.821 ( 2.129 -2.448 4.065) 5.201 27.953 ( -1.611 -3.135 -5.288) 6.355 28.040 ( -2.098 3.931 -2.646) 5.182 28.197 ( 1.827 2.654 -0.770) 3.313 28.264 ( -1.222 3.423 0.082) 3.635 28.303 ( -1.247 -0.669 3.922) 4.169 28.391 ( -1.814 -4.118 -1.318) 4.689 28.482 ( -1.949 -1.459 2.469) 3.467 28.598 ( -6.149 -2.380 1.530) 6.769 28.732 ( -3.652 -4.125 -4.881) 7.361 28.876 ( -3.698 0.163 2.367) 4.394 29.010 ( -11.800 5.023 -3.658) 13.336 29.273 ( -6.630 0.427 1.137) 6.740 29.598 ( 3.634 2.784 -5.884) 7.455 29.705 ( 1.947 5.004 9.557) 10.962 29.816 ( -1.453 1.823 2.549) 3.454 29.963 ( -1.470 -0.200 1.131) 1.865 30.297 ( 3.179 -10.529 -6.275) 12.663 30.418 ( -5.359 -1.860 -6.289) 8.469 30.691 ( -0.462 -6.543 2.804) 7.134 31.057 ( 11.465 6.294 3.830) 13.628 31.499 ( 4.459 -7.350 -0.664) 8.623 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 13.597 9.208 1.024) 16.453 1.675 ( 12.555 12.273 -5.898) 18.522 1.851 ( -16.931 0.667 -17.025) 24.020 1.887 ( -10.115 -3.554 -5.157) 11.897 2.023 ( -11.489 0.176 -9.390) 14.839 2.087 ( -5.800 -3.529 -5.242) 8.577 2.182 ( -2.283 1.705 -9.579) 9.993 2.370 ( -0.411 -6.724 2.167) 7.076 2.506 ( -4.471 0.129 -1.088) 4.603 2.585 ( 0.732 -3.174 -7.041) 7.758 2.659 ( 4.105 -3.994 4.854) 7.507 2.734 ( -2.601 -1.224 -7.349) 7.891 2.749 ( 2.273 -3.176 -1.717) 4.267 2.823 ( 3.039 8.460 0.512) 9.004 2.893 ( -5.143 -3.447 7.493) 9.719 2.986 ( 0.512 2.819 4.644) 5.457 3.031 ( 1.643 10.999 -2.007) 11.301 3.070 ( 3.009 -0.336 -2.173) 3.727 3.106 ( 0.180 1.958 2.590) 3.251 3.250 ( 11.308 -0.020 7.707) 13.685 3.409 ( 4.317 0.086 2.237) 4.863 3.528 ( 2.763 -2.019 -3.587) 4.958 3.551 ( 1.289 6.238 1.772) 6.612 3.633 ( 5.594 7.709 4.895) 10.709 3.753 ( 2.229 -1.294 2.392) 3.516 3.812 ( -1.978 3.079 2.099) 4.219 3.957 ( 3.083 3.074 2.280) 4.914 3.982 ( 1.553 5.102 -0.759) 5.386 4.086 ( -2.886 -1.234 -0.388) 3.162 4.139 ( 0.746 1.589 2.644) 3.174 4.214 ( -7.505 -5.816 -0.889) 9.536 4.293 ( 0.009 -1.311 -0.670) 1.472 4.308 ( 5.431 0.756 5.511) 7.774 4.315 ( 3.710 1.572 -4.395) 5.963 4.410 ( 2.434 3.750 4.957) 6.675 4.492 ( -1.247 -6.221 2.561) 6.842 4.552 ( -0.566 -5.302 1.902) 5.661 4.568 ( 2.638 -1.776 2.576) 4.093 4.643 ( -0.519 0.004 -0.483) 0.709 4.722 ( -4.014 -0.241 2.802) 4.901 4.827 ( -4.011 -6.762 -0.403) 7.873 4.856 ( -1.699 -1.341 0.963) 2.369 4.923 ( -0.956 -0.832 2.113) 2.464 5.054 ( 1.217 -0.894 -4.133) 4.400 5.138 ( -0.001 4.363 -2.301) 4.933 5.157 ( -1.752 7.103 2.774) 7.824 5.259 ( 0.361 0.829 -3.257) 3.380 5.267 ( 0.608 3.223 -2.332) 4.024 5.398 ( -0.398 -1.997 -0.332) 2.063 5.407 ( -1.500 -0.478 -1.235) 2.001 5.510 ( 0.063 -0.995 2.128) 2.350 5.533 ( -3.891 -3.822 -4.297) 6.943 5.618 ( -0.258 -0.385 1.226) 1.311 5.739 ( -2.018 -0.549 6.156) 6.502 5.846 ( -2.573 -2.916 -4.846) 6.213 5.859 ( -0.391 2.060 -4.586) 5.043 6.002 ( -0.207 -6.018 2.293) 6.444 6.058 ( -2.834 -4.889 0.916) 5.725 6.167 ( 0.697 -0.061 1.140) 1.338 6.189 ( 4.778 -1.354 -2.383) 5.508 6.279 ( 0.200 -2.543 -1.818) 3.132 6.322 ( -2.679 -3.030 -2.179) 4.594 6.370 ( -1.843 1.036 1.766) 2.755 6.479 ( -0.188 -2.069 3.683) 4.228 6.660 ( -1.690 1.643 -0.475) 2.404 6.770 ( -1.151 5.103 1.106) 5.347 7.022 ( -1.777 -2.042 -1.967) 3.346 7.086 ( -1.924 1.721 -1.031) 2.779 7.195 ( -1.411 3.791 -1.211) 4.223 7.301 ( 1.917 1.212 0.372) 2.299 7.430 ( -0.805 2.183 -3.459) 4.169 7.495 ( -0.924 -4.770 7.155) 8.649 7.691 ( -0.794 -1.773 -0.677) 2.057 7.778 ( 0.549 0.280 4.701) 4.741 7.829 ( -0.421 -2.642 3.506) 4.410 7.894 ( 2.472 1.391 -6.490) 7.082 8.112 ( -4.610 0.947 5.204) 7.016 8.213 ( -2.989 6.735 -0.812) 7.413 8.314 ( 0.317 1.289 -1.055) 1.696 8.362 ( -0.330 -0.601 0.486) 0.840 8.409 ( -2.538 3.177 -1.900) 4.488 8.601 ( -6.277 -1.135 4.114) 7.591 8.687 ( -2.343 -6.937 -6.150) 9.562 8.839 ( -0.525 2.581 -0.515) 2.683 8.883 ( -2.649 1.759 -3.253) 4.549 8.920 ( 0.845 3.371 -0.640) 3.534 8.982 ( 2.238 -3.984 -1.281) 4.746 9.059 ( 0.749 6.340 0.623) 6.415 9.254 ( 0.724 0.278 -0.929) 1.210 9.315 ( 3.815 1.187 -0.083) 3.996 9.443 ( -2.719 -1.105 0.057) 2.936 9.539 ( 0.046 -2.182 2.386) 3.234 9.638 ( 1.889 -1.713 -1.353) 2.887 9.816 ( -0.323 -9.084 -2.194) 9.351 9.870 ( 2.882 -0.063 0.558) 2.936 9.962 ( -1.387 0.794 -0.180) 1.608 10.098 ( 0.512 2.804 -1.341) 3.150 10.189 ( -0.961 -0.253 -2.810) 2.980 10.265 ( 2.760 2.798 0.592) 3.974 10.328 ( 1.021 0.527 -2.163) 2.449 10.566 ( -2.038 -4.190 2.365) 5.225 10.733 ( -1.486 -6.359 -4.133) 7.728 10.791 ( 0.141 -3.127 4.113) 5.169 10.882 ( -1.094 -7.604 -3.624) 8.494 10.958 ( 0.511 3.430 -2.878) 4.506 11.048 ( -1.351 2.244 -3.180) 4.120 11.210 ( 2.990 6.244 -0.221) 6.926 11.279 ( 0.927 2.915 5.261) 6.086 11.933 ( -0.442 -1.243 1.184) 1.772 11.968 ( 2.348 -3.454 0.071) 4.177 12.078 ( -0.921 2.975 0.981) 3.265 12.154 ( 2.047 0.415 4.198) 4.689 12.314 ( 1.722 -6.174 1.044) 6.494 12.326 ( -0.614 -3.910 2.922) 4.920 12.393 ( 2.208 2.036 1.551) 3.381 12.433 ( -0.849 -2.243 2.661) 3.583 12.503 ( 0.894 -0.030 6.204) 6.268 12.589 ( -2.628 -0.673 2.549) 3.722 12.622 ( -4.482 0.371 0.904) 4.588 12.752 ( 2.351 -0.143 0.044) 2.356 12.830 ( 0.784 -6.145 -1.541) 6.384 12.883 ( 0.285 1.752 -1.037) 2.056 13.015 ( -0.393 1.504 -2.553) 2.989 13.084 ( -4.644 -4.099 -1.446) 6.361 13.130 ( -4.136 -0.776 -0.744) 4.274 13.168 ( 2.720 1.051 -0.696) 2.998 13.312 ( 2.911 -5.894 -2.093) 6.898 13.447 ( 4.349 -2.206 1.743) 5.179 13.644 ( 1.913 4.702 -1.271) 5.232 13.709 ( 0.483 6.982 2.518) 7.437 13.755 ( 4.752 1.017 0.805) 4.925 13.825 ( -0.043 1.483 -3.913) 4.185 13.957 ( -6.698 4.671 -4.582) 9.364 14.030 ( -7.753 2.840 -4.487) 9.397 14.194 ( -4.052 -6.318 9.029) 11.741 14.374 ( -1.922 -1.033 1.214) 2.497 14.517 ( -1.009 2.289 2.967) 3.881 14.667 ( 1.044 0.737 -5.168) 5.324 14.692 ( 4.081 5.006 4.477) 7.859 14.954 ( 2.506 4.385 -3.675) 6.246 15.018 ( -0.167 5.323 -4.089) 6.715 15.243 ( 3.318 6.490 -0.492) 7.306 15.355 ( 0.884 0.138 3.116) 3.242 15.366 ( 0.244 0.664 -1.612) 1.760 15.454 ( -2.495 4.186 1.478) 5.092 15.488 ( -1.914 3.317 -1.066) 3.975 15.699 ( 2.275 3.406 -2.611) 4.857 15.805 ( -2.337 1.034 1.447) 2.937 15.948 ( 0.257 -1.196 -3.327) 3.545 16.111 ( -2.799 -5.832 0.512) 6.489 16.298 ( 3.405 2.698 2.110) 4.830 16.453 ( -0.593 1.836 1.861) 2.681 16.607 ( 2.499 -7.604 1.077) 8.077 16.866 ( 1.075 -5.124 -2.765) 5.921 16.931 ( 3.111 -1.018 2.124) 3.902 16.973 ( 4.620 -3.776 -2.337) 6.408 19.142 ( 1.117 -0.690 -0.927) 1.607 19.299 ( 1.472 3.687 0.125) 3.971 19.393 ( -2.048 -5.776 1.489) 6.306 19.569 ( -1.836 -3.569 -2.037) 4.501 20.954 ( 0.981 2.436 1.200) 2.887 21.038 ( 1.334 1.057 -4.050) 4.393 21.086 ( -1.048 2.932 0.851) 3.227 21.175 ( -2.644 0.231 -0.425) 2.688 25.026 ( 0.418 0.760 0.488) 0.995 25.074 ( 0.379 -0.440 1.417) 1.531 25.433 ( 1.003 -0.367 0.657) 1.255 25.563 ( 2.613 -4.644 4.511) 6.982 25.886 ( -0.035 3.016 -1.599) 3.414 25.949 ( -0.268 2.287 -1.838) 2.946 26.121 ( -0.648 1.169 1.080) 1.719 26.130 ( -0.356 0.674 1.190) 1.413 26.707 ( -0.707 1.623 -0.675) 1.894 26.942 ( -1.424 -5.174 5.880) 7.961 27.049 ( -0.559 -0.830 -1.905) 2.152 27.154 ( 4.930 -3.318 5.212) 7.905 27.219 ( 4.084 -1.048 -0.133) 4.218 27.265 ( 4.830 -0.237 -2.612) 5.496 27.351 ( -0.187 -0.314 2.241) 2.270 27.423 ( -1.164 -1.159 -1.160) 2.011 27.551 ( -1.788 5.860 0.459) 6.144 27.599 ( 6.989 6.740 1.952) 9.904 27.844 ( -0.270 -0.453 -6.733) 6.754 27.926 ( 0.577 -0.494 2.776) 2.878 28.006 ( 0.404 4.660 1.118) 4.809 28.152 ( -3.746 1.502 -5.583) 6.889 28.259 ( 1.165 2.005 0.298) 2.338 28.322 ( -0.878 -3.084 2.696) 4.189 28.368 ( 0.052 -1.809 -1.747) 2.515 28.447 ( -4.177 -3.788 -0.200) 5.642 28.486 ( -5.517 -2.632 -0.143) 6.115 28.629 ( -2.797 -3.631 -3.555) 5.801 28.789 ( -7.667 6.810 3.311) 10.776 28.831 ( -3.632 6.060 -5.807) 9.145 29.209 ( -2.917 -2.347 2.194) 4.339 29.592 ( 2.048 -1.581 -4.151) 4.891 29.819 ( -1.053 2.084 3.118) 3.895 29.832 ( 0.818 2.139 7.940) 8.263 29.958 ( -0.413 -0.865 0.675) 1.172 30.204 ( -3.426 -7.186 -5.726) 9.806 30.288 ( -1.728 1.601 -6.621) 7.028 30.768 ( 3.586 -7.519 2.974) 8.845 31.268 ( 7.850 4.467 3.542) 9.701 31.534 ( 0.767 -3.039 -0.766) 3.227 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 -1.125 0.000) 1.125 1.666 ( 0.000 12.853 -0.000) 12.853 1.668 ( -0.000 1.347 0.000) 1.347 1.791 ( 0.000 -4.773 0.000) 4.773 1.832 ( -0.000 5.175 0.000) 5.175 1.979 ( 0.000 -1.052 0.000) 1.052 2.150 ( 0.000 0.472 0.000) 0.472 2.383 ( 0.000 -8.240 0.000) 8.240 2.455 ( 0.000 1.308 -0.000) 1.308 2.577 ( 0.000 -3.423 0.000) 3.423 2.611 ( 0.000 2.019 0.000) 2.019 2.725 ( 0.000 -4.557 -0.000) 4.557 2.767 ( 0.000 -0.119 0.000) 0.119 2.836 ( 0.000 3.296 0.000) 3.296 2.864 ( 0.000 5.189 0.000) 5.189 3.000 ( 0.000 4.548 0.000) 4.548 3.053 ( 0.000 9.047 0.000) 9.047 3.100 ( 0.000 2.820 0.000) 2.820 3.127 ( 0.000 -3.075 0.000) 3.075 3.370 ( 0.000 -6.396 0.000) 6.396 3.457 ( 0.000 -3.987 0.000) 3.987 3.506 ( 0.000 9.339 0.000) 9.339 3.580 ( 0.000 -0.965 0.000) 0.965 3.766 ( 0.000 5.573 0.000) 5.573 3.807 ( 0.000 6.297 0.000) 6.297 3.900 ( -0.000 -3.865 -0.000) 3.865 3.938 ( 0.000 3.476 0.000) 3.476 4.003 ( -0.000 4.785 0.000) 4.785 4.042 ( 0.000 -3.814 0.000) 3.814 4.073 ( 0.000 0.462 0.000) 0.462 4.201 ( 0.000 4.051 -0.000) 4.051 4.241 ( 0.000 -2.500 0.000) 2.500 4.349 ( 0.000 -0.407 0.000) 0.407 4.422 ( 0.000 -2.142 -0.000) 2.142 4.458 ( -0.000 -1.004 0.000) 1.004 4.482 ( 0.000 8.345 0.000) 8.345 4.499 ( 0.000 2.191 -0.000) 2.191 4.657 ( -0.000 -2.844 0.000) 2.844 4.673 ( 0.000 0.050 0.000) 0.050 4.714 ( 0.000 -13.045 -0.000) 13.045 4.740 ( 0.000 -5.269 0.000) 5.269 4.846 ( 0.000 -2.764 -0.000) 2.764 4.940 ( 0.000 -1.249 -0.000) 1.249 5.049 ( 0.000 -0.928 0.000) 0.928 5.139 ( 0.000 8.562 0.000) 8.562 5.144 ( -0.000 3.932 -0.000) 3.932 5.219 ( 0.000 -0.307 0.000) 0.307 5.298 ( 0.000 3.327 0.000) 3.327 5.348 ( 0.000 -0.771 0.000) 0.771 5.406 ( 0.000 -1.620 0.000) 1.620 5.465 ( 0.000 -2.933 0.000) 2.933 5.538 ( 0.000 -2.963 -0.000) 2.963 5.615 ( 0.000 3.336 0.000) 3.336 5.785 ( 0.000 1.389 0.000) 1.389 5.793 ( 0.000 -3.476 0.000) 3.476 5.821 ( 0.000 -1.190 0.000) 1.190 6.014 ( 0.000 -4.109 -0.000) 4.109 6.032 ( 0.000 -6.306 0.000) 6.306 6.181 ( 0.000 -2.347 0.000) 2.347 6.234 ( -0.000 -3.270 -0.000) 3.270 6.258 ( 0.000 -0.125 0.000) 0.125 6.271 ( 0.000 -1.151 0.000) 1.151 6.368 ( 0.000 -1.229 0.000) 1.229 6.497 ( 0.000 -3.339 -0.000) 3.339 6.643 ( 0.000 3.274 0.000) 3.274 6.775 ( 0.000 7.046 -0.000) 7.046 6.972 ( 0.000 -2.538 0.000) 2.538 7.072 ( 0.000 -0.794 0.000) 0.794 7.167 ( 0.000 3.439 0.000) 3.439 7.338 ( 0.000 -0.854 0.000) 0.854 7.395 ( 0.000 3.882 0.000) 3.882 7.526 ( 0.000 -2.566 0.000) 2.566 7.676 ( 0.000 -5.076 -0.000) 5.076 7.807 ( 0.000 0.460 0.000) 0.460 7.850 ( 0.000 -1.156 0.000) 1.156 7.883 ( 0.000 0.323 0.000) 0.323 8.095 ( 0.000 2.759 0.000) 2.759 8.180 ( 0.000 7.438 0.000) 7.438 8.334 ( 0.000 4.171 -0.000) 4.171 8.349 ( -0.000 3.545 0.000) 3.545 8.384 ( 0.000 -3.153 0.000) 3.153 8.576 ( 0.000 -7.138 0.000) 7.138 8.599 ( 0.000 -0.142 0.000) 0.142 8.830 ( 0.000 3.275 -0.000) 3.275 8.839 ( 0.000 1.481 0.000) 1.481 8.926 ( 0.000 2.839 0.000) 2.839 8.995 ( 0.000 -3.756 0.000) 3.756 9.085 ( 0.000 5.998 0.000) 5.998 9.250 ( 0.000 -1.115 0.000) 1.115 9.370 ( 0.000 -4.053 -0.000) 4.053 9.401 ( 0.000 5.885 0.000) 5.885 9.550 ( 0.000 -2.145 0.000) 2.145 9.640 ( 0.000 -4.383 0.000) 4.383 9.800 ( 0.000 -8.875 0.000) 8.875 9.924 ( -0.000 3.563 -0.000) 3.563 9.928 ( 0.000 0.017 0.000) 0.017 10.109 ( 0.000 7.064 0.000) 7.064 10.144 ( 0.000 -1.056 0.000) 1.056 10.312 ( 0.000 -1.916 -0.000) 1.916 10.317 ( 0.000 2.146 0.000) 2.146 10.558 ( 0.000 -4.735 0.000) 4.735 10.680 ( 0.000 -5.327 0.000) 5.327 10.821 ( 0.000 -3.301 0.000) 3.301 10.852 ( 0.000 -6.821 0.000) 6.821 10.954 ( 0.000 1.435 0.000) 1.435 11.021 ( 0.000 2.073 0.000) 2.073 11.246 ( 0.000 5.743 0.000) 5.743 11.306 ( 0.000 4.430 0.000) 4.430 11.934 ( 0.000 -0.358 0.000) 0.358 11.995 ( 0.000 -4.682 0.000) 4.682 12.074 ( 0.000 3.689 0.000) 3.689 12.204 ( 0.000 0.173 0.000) 0.173 12.328 ( 0.000 -5.479 -0.000) 5.479 12.338 ( -0.000 -7.129 0.000) 7.129 12.410 ( 0.000 -0.292 0.000) 0.292 12.484 ( 0.000 -5.755 0.000) 5.755 12.504 ( 0.000 2.167 0.000) 2.167 12.570 ( -0.000 2.914 0.000) 2.914 12.612 ( 0.000 -2.840 0.000) 2.840 12.773 ( 0.000 -0.071 0.000) 0.071 12.823 ( 0.000 -4.045 0.000) 4.045 12.884 ( 0.000 1.048 0.000) 1.048 13.000 ( 0.000 -2.143 -0.000) 2.143 13.020 ( 0.000 -0.840 -0.000) 0.840 13.100 ( 0.000 0.353 0.000) 0.353 13.181 ( 0.000 -0.401 0.000) 0.401 13.338 ( 0.000 -4.675 -0.000) 4.675 13.497 ( 0.000 -4.629 0.000) 4.629 13.666 ( 0.000 8.216 0.000) 8.216 13.729 ( 0.000 8.222 0.000) 8.222 13.742 ( 0.000 1.868 0.000) 1.868 13.838 ( 0.000 -1.220 0.000) 1.220 13.866 ( 0.000 3.569 0.000) 3.569 13.933 ( 0.000 7.523 0.000) 7.523 14.211 ( 0.000 -6.205 -0.000) 6.205 14.362 ( 0.000 -1.936 0.000) 1.936 14.529 ( 0.000 -2.987 0.000) 2.987 14.638 ( 0.000 1.994 0.000) 1.994 14.756 ( 0.000 6.852 -0.000) 6.852 14.956 ( 0.000 7.815 0.000) 7.815 14.997 ( 0.000 4.042 0.000) 4.042 15.279 ( 0.000 4.522 0.000) 4.522 15.358 ( 0.000 -1.940 0.000) 1.940 15.391 ( 0.000 -0.218 0.000) 0.218 15.443 ( 0.000 5.981 0.000) 5.981 15.456 ( 0.000 3.025 -0.000) 3.025 15.703 ( 0.000 4.263 0.000) 4.263 15.796 ( 0.000 0.688 -0.000) 0.688 15.932 ( 0.000 -0.934 0.000) 0.934 16.084 ( 0.000 -4.920 0.000) 4.920 16.343 ( 0.000 -0.475 0.000) 0.475 16.457 ( 0.000 4.635 0.000) 4.635 16.634 ( 0.000 -9.442 -0.000) 9.442 16.856 ( 0.000 -4.068 0.000) 4.068 16.975 ( 0.000 -0.602 0.000) 0.602 16.997 ( 0.000 -4.420 0.000) 4.420 19.148 ( 0.000 -0.296 0.000) 0.296 19.320 ( 0.000 3.156 0.000) 3.156 19.378 ( 0.000 -6.026 0.000) 6.026 19.539 ( 0.000 -3.204 0.000) 3.204 20.963 ( 0.000 1.368 0.000) 1.368 21.039 ( 0.000 0.568 -0.000) 0.568 21.074 ( 0.000 4.343 0.000) 4.343 21.149 ( 0.000 0.799 0.000) 0.799 25.032 ( 0.000 0.784 0.000) 0.784 25.084 ( 0.000 -0.491 0.000) 0.491 25.446 ( 0.000 -0.056 0.000) 0.056 25.610 ( 0.000 -5.657 0.000) 5.657 25.878 ( 0.000 2.877 0.000) 2.877 25.939 ( 0.000 2.671 0.000) 2.671 26.120 ( 0.000 1.149 -0.000) 1.149 26.132 ( 0.000 0.609 0.000) 0.609 26.696 ( 0.000 2.437 0.000) 2.437 26.961 ( -0.000 -4.941 0.000) 4.941 27.032 ( 0.000 0.104 -0.000) 0.104 27.227 ( 0.000 -3.641 0.000) 3.641 27.256 ( 0.000 -2.447 -0.000) 2.447 27.300 ( 0.000 -1.482 -0.000) 1.482 27.351 ( 0.000 1.251 0.000) 1.251 27.412 ( 0.000 -2.790 0.000) 2.790 27.532 ( 0.000 5.153 0.000) 5.153 27.752 ( -0.000 -2.006 -0.000) 2.006 27.761 ( 0.000 12.534 0.000) 12.534 27.938 ( 0.000 1.850 0.000) 1.850 28.046 ( 0.000 3.616 0.000) 3.616 28.047 ( -0.000 -1.669 -0.000) 1.669 28.289 ( -0.000 -7.619 0.000) 7.619 28.291 ( 0.000 1.569 0.000) 1.569 28.378 ( -0.000 2.424 -0.000) 2.424 28.379 ( 0.000 -4.631 0.000) 4.631 28.447 ( 0.000 -1.208 0.000) 1.208 28.590 ( 0.000 -2.578 0.000) 2.578 28.742 ( 0.000 2.667 -0.000) 2.667 28.756 ( 0.000 11.807 0.000) 11.807 29.198 ( 0.000 -3.387 0.000) 3.387 29.590 ( 0.000 -4.810 0.000) 4.810 29.823 ( 0.000 2.348 0.000) 2.348 29.881 ( 0.000 0.877 0.000) 0.877 29.957 ( 0.000 -1.118 0.000) 1.118 30.148 ( 0.000 -8.759 0.000) 8.759 30.232 ( 0.000 6.756 -0.000) 6.756 30.819 ( 0.000 -8.052 0.000) 8.052 31.363 ( 0.000 3.532 0.000) 3.532 31.528 ( 0.000 -1.359 0.000) 1.359 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 23.763 0.000) 23.763 1.262 ( 0.000 31.060 0.000) 31.060 1.305 ( 0.000 -19.852 0.000) 19.852 1.663 ( 0.000 3.567 0.000) 3.567 1.903 ( 0.000 0.437 0.000) 0.437 2.033 ( 0.000 -5.935 0.000) 5.935 2.229 ( 0.000 7.091 0.000) 7.091 2.344 ( 0.000 1.098 0.000) 1.098 2.412 ( 0.000 -5.173 0.000) 5.173 2.438 ( 0.000 -10.452 0.000) 10.452 2.515 ( 0.000 10.032 0.000) 10.032 2.689 ( 0.000 -6.845 0.000) 6.845 2.809 ( 0.000 1.051 0.000) 1.051 2.829 ( 0.000 0.367 0.000) 0.367 2.950 ( 0.000 1.243 0.000) 1.243 2.965 ( 0.000 0.544 0.000) 0.544 2.987 ( 0.000 4.424 0.000) 4.424 3.026 ( 0.000 -0.791 0.000) 0.791 3.151 ( 0.000 1.431 0.000) 1.431 3.243 ( 0.000 -9.628 0.000) 9.628 3.343 ( 0.000 1.675 0.000) 1.675 3.412 ( 0.000 -6.477 0.000) 6.477 3.460 ( 0.000 5.454 0.000) 5.454 3.499 ( 0.000 1.890 0.000) 1.890 3.672 ( 0.000 -3.431 0.000) 3.431 3.691 ( 0.000 -5.023 0.000) 5.023 3.990 ( 0.000 13.418 0.000) 13.418 4.018 ( 0.000 2.738 0.000) 2.738 4.063 ( 0.000 3.015 0.000) 3.015 4.142 ( 0.000 8.355 0.000) 8.355 4.216 ( 0.000 -1.742 0.000) 1.742 4.285 ( 0.000 2.829 0.000) 2.829 4.322 ( 0.000 -7.505 0.000) 7.505 4.342 ( 0.000 -3.242 0.000) 3.242 4.453 ( 0.000 -5.350 0.000) 5.350 4.489 ( 0.000 -9.390 0.000) 9.390 4.590 ( 0.000 11.908 0.000) 11.908 4.706 ( 0.000 1.848 0.000) 1.848 4.731 ( 0.000 -0.946 0.000) 0.946 4.780 ( 0.000 -8.090 0.000) 8.090 4.920 ( 0.000 3.596 0.000) 3.596 4.984 ( 0.000 -4.095 0.000) 4.095 5.032 ( 0.000 2.895 0.000) 2.895 5.032 ( 0.000 3.426 0.000) 3.426 5.237 ( 0.000 0.010 0.000) 0.010 5.257 ( 0.000 -2.379 0.000) 2.379 5.399 ( 0.000 0.478 0.000) 0.478 5.403 ( 0.000 -0.029 0.000) 0.029 5.492 ( 0.000 4.036 0.000) 4.036 5.532 ( 0.000 4.241 0.000) 4.241 5.601 ( 0.000 -5.812 0.000) 5.812 5.638 ( 0.000 -2.575 0.000) 2.575 5.664 ( 0.000 4.678 0.000) 4.678 5.794 ( 0.000 -3.252 0.000) 3.252 5.827 ( 0.000 -1.878 0.000) 1.878 5.897 ( 0.000 -5.009 0.000) 5.009 5.998 ( 0.000 3.565 0.000) 3.565 6.087 ( 0.000 -0.528 0.000) 0.528 6.125 ( 0.000 -4.004 0.000) 4.004 6.130 ( 0.000 -1.535 0.000) 1.535 6.387 ( 0.000 5.196 0.000) 5.196 6.394 ( 0.000 0.584 0.000) 0.584 6.445 ( 0.000 -1.925 0.000) 1.925 6.500 ( 0.000 -5.846 0.000) 5.846 6.702 ( 0.000 0.235 0.000) 0.235 6.718 ( 0.000 -1.603 0.000) 1.603 6.964 ( 0.000 3.958 0.000) 3.958 7.044 ( 0.000 -4.306 0.000) 4.306 7.313 ( 0.000 2.343 0.000) 2.343 7.318 ( 0.000 1.793 0.000) 1.793 7.508 ( 0.000 3.040 0.000) 3.040 7.524 ( 0.000 0.893 0.000) 0.893 7.632 ( 0.000 0.670 0.000) 0.670 7.670 ( 0.000 -2.880 0.000) 2.880 7.778 ( 0.000 0.878 0.000) 0.878 7.802 ( 0.000 -2.083 0.000) 2.083 8.167 ( 0.000 8.370 0.000) 8.370 8.282 ( 0.000 -4.075 0.000) 4.075 8.556 ( 0.000 2.627 0.000) 2.627 8.611 ( 0.000 -2.690 0.000) 2.690 8.697 ( 0.000 5.368 0.000) 5.368 8.762 ( 0.000 -0.623 0.000) 0.623 8.800 ( 0.000 8.268 0.000) 8.268 8.839 ( 0.000 -4.285 0.000) 4.285 8.866 ( 0.000 -4.634 0.000) 4.634 8.958 ( 0.000 -7.250 0.000) 7.250 8.997 ( 0.000 6.017 0.000) 6.017 9.100 ( 0.000 -5.896 0.000) 5.896 9.272 ( 0.000 3.880 0.000) 3.880 9.320 ( 0.000 -1.591 0.000) 1.591 9.354 ( 0.000 10.002 0.000) 10.002 9.457 ( 0.000 5.428 0.000) 5.428 9.527 ( 0.000 -2.727 0.000) 2.727 9.604 ( 0.000 -15.076 0.000) 15.076 9.827 ( 0.000 6.784 0.000) 6.784 9.904 ( 0.000 -1.790 0.000) 1.790 10.115 ( 0.000 -2.000 0.000) 2.000 10.116 ( 0.000 -1.864 0.000) 1.864 10.211 ( 0.000 2.327 0.000) 2.327 10.285 ( 0.000 -4.755 0.000) 4.755 10.544 ( 0.000 3.759 0.000) 3.759 10.635 ( 0.000 -5.884 0.000) 5.884 10.702 ( 0.000 1.083 0.000) 1.083 10.756 ( 0.000 -3.280 0.000) 3.280 11.022 ( 0.000 2.716 0.000) 2.716 11.083 ( 0.000 -4.443 0.000) 4.443 11.324 ( 0.000 2.743 0.000) 2.743 11.371 ( 0.000 -1.452 0.000) 1.452 11.804 ( 0.000 4.018 0.000) 4.018 11.897 ( 0.000 -7.453 0.000) 7.453 12.028 ( 0.000 5.748 0.000) 5.748 12.126 ( 0.000 -4.783 0.000) 4.783 12.297 ( 0.000 8.525 0.000) 8.525 12.348 ( 0.000 1.320 0.000) 1.320 12.370 ( 0.000 0.981 0.000) 0.981 12.409 ( 0.000 0.226 0.000) 0.226 12.571 ( 0.000 4.446 0.000) 4.446 12.632 ( 0.000 -4.385 0.000) 4.385 12.677 ( 0.000 -1.260 0.000) 1.260 12.717 ( 0.000 -6.846 0.000) 6.846 12.896 ( 0.000 4.025 0.000) 4.025 12.965 ( 0.000 -3.797 0.000) 3.797 13.047 ( 0.000 5.494 0.000) 5.494 13.080 ( 0.000 3.815 0.000) 3.815 13.154 ( 0.000 -3.394 0.000) 3.394 13.174 ( 0.000 -7.444 0.000) 7.444 13.325 ( 0.000 1.389 0.000) 1.389 13.346 ( 0.000 -1.288 0.000) 1.288 13.474 ( 0.000 6.423 0.000) 6.423 13.599 ( 0.000 -6.676 0.000) 6.676 13.806 ( 0.000 4.086 0.000) 4.086 13.853 ( 0.000 -1.516 0.000) 1.516 13.955 ( 0.000 1.033 0.000) 1.033 14.044 ( 0.000 -7.863 0.000) 7.863 14.471 ( 0.000 7.336 0.000) 7.336 14.481 ( 0.000 10.763 0.000) 10.763 14.583 ( 0.000 -2.543 0.000) 2.543 14.670 ( 0.000 -6.717 0.000) 6.717 14.801 ( 0.000 7.248 0.000) 7.248 14.902 ( 0.000 -3.863 0.000) 3.863 15.319 ( 0.000 2.662 0.000) 2.662 15.377 ( 0.000 -3.299 0.000) 3.299 15.415 ( 0.000 0.407 0.000) 0.407 15.446 ( 0.000 -2.331 0.000) 2.331 15.637 ( 0.000 10.557 0.000) 10.557 15.677 ( 0.000 10.047 0.000) 10.047 15.796 ( 0.000 -2.961 0.000) 2.961 15.878 ( 0.000 -8.224 0.000) 8.224 15.960 ( 0.000 -1.573 0.000) 1.573 16.029 ( 0.000 -7.828 0.000) 7.828 16.179 ( 0.000 6.906 0.000) 6.906 16.309 ( 0.000 -6.024 0.000) 6.024 16.603 ( 0.000 1.691 0.000) 1.691 16.635 ( 0.000 -1.724 0.000) 1.724 16.825 ( 0.000 2.653 0.000) 2.653 16.858 ( 0.000 -1.169 0.000) 1.169 19.162 ( 0.000 6.384 0.000) 6.384 19.294 ( 0.000 -7.824 0.000) 7.824 19.400 ( 0.000 8.710 0.000) 8.710 19.579 ( 0.000 -10.803 0.000) 10.803 20.956 ( 0.000 6.268 0.000) 6.268 21.053 ( 0.000 -4.312 0.000) 4.312 21.078 ( 0.000 3.026 0.000) 3.026 21.128 ( 0.000 -2.434 0.000) 2.434 24.982 ( 0.000 0.477 0.000) 0.477 25.000 ( 0.000 -1.525 0.000) 1.525 25.299 ( 0.000 2.067 0.000) 2.067 25.335 ( 0.000 -1.846 0.000) 1.846 26.048 ( 0.000 0.899 0.000) 0.899 26.060 ( 0.000 -0.527 0.000) 0.527 26.125 ( 0.000 2.830 0.000) 2.830 26.171 ( 0.000 -2.077 0.000) 2.077 26.515 ( 0.000 4.931 0.000) 4.931 26.609 ( 0.000 -5.098 0.000) 5.098 27.014 ( 0.000 2.833 0.000) 2.833 27.059 ( 0.000 -1.574 0.000) 1.574 27.105 ( 0.000 0.277 0.000) 0.277 27.117 ( 0.000 -1.581 0.000) 1.581 27.372 ( 0.000 4.768 0.000) 4.768 27.455 ( 0.000 -3.755 0.000) 3.755 27.553 ( 0.000 4.869 0.000) 4.869 27.640 ( 0.000 -4.582 0.000) 4.582 27.899 ( 0.000 1.768 0.000) 1.768 27.940 ( 0.000 -2.542 0.000) 2.542 28.211 ( 0.000 4.548 0.000) 4.548 28.255 ( 0.000 0.374 0.000) 0.374 28.259 ( 0.000 1.768 0.000) 1.768 28.314 ( 0.000 -2.621 0.000) 2.621 28.390 ( 0.000 -0.658 0.000) 0.658 28.431 ( 0.000 -2.326 0.000) 2.326 28.692 ( 0.000 1.358 0.000) 1.358 28.757 ( 0.000 -5.842 0.000) 5.842 29.148 ( 0.000 10.068 0.000) 10.068 29.308 ( 0.000 -6.924 0.000) 6.924 29.440 ( 0.000 4.201 0.000) 4.201 29.492 ( 0.000 -1.889 0.000) 1.889 29.687 ( 0.000 0.563 0.000) 0.563 29.709 ( 0.000 -2.069 0.000) 2.069 29.929 ( 0.000 3.160 0.000) 3.160 29.980 ( 0.000 -2.477 0.000) 2.477 30.637 ( 0.000 1.585 0.000) 1.585 30.670 ( 0.000 -1.633 0.000) 1.633 30.935 ( 0.000 4.846 0.000) 4.846 31.043 ( 0.000 -6.346 0.000) 6.346 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 12.063 22.183 13.044) 28.421 1.347 ( 15.025 21.548 11.695) 28.754 1.631 ( 17.783 -13.247 18.936) 29.160 1.788 ( 8.747 -11.973 6.581) 16.222 1.970 ( 8.275 7.371 5.462) 12.355 2.077 ( 2.193 -4.098 5.663) 7.326 2.280 ( 2.924 6.800 2.553) 7.830 2.353 ( 1.125 0.660 -0.904) 1.587 2.427 ( 1.266 -6.378 0.104) 6.503 2.435 ( 2.463 -5.676 -2.057) 6.520 2.658 ( 6.957 8.706 7.230) 13.284 2.744 ( -2.708 -0.417 -4.892) 5.607 2.755 ( -0.821 -0.118 -8.063) 8.106 2.785 ( 3.655 -3.623 2.802) 5.860 2.887 ( -4.522 1.930 -5.887) 7.670 2.937 ( -5.549 -3.289 -3.332) 7.261 2.953 ( 2.561 4.827 -1.779) 5.747 3.031 ( 2.000 0.818 1.597) 2.687 3.200 ( 0.607 0.794 6.602) 6.677 3.260 ( -1.893 -4.091 4.559) 6.411 3.357 ( 4.422 2.335 -5.288) 7.278 3.412 ( 2.050 -5.920 -5.262) 8.182 3.466 ( 1.516 4.690 -0.509) 4.955 3.521 ( 2.496 -2.801 3.268) 4.976 3.718 ( 3.909 -2.036 3.452) 5.598 3.778 ( 6.397 -5.044 5.274) 9.705 3.920 ( -2.687 9.783 -4.877) 11.257 4.010 ( -0.911 -1.342 -2.847) 3.276 4.064 ( -2.676 9.622 6.165) 11.737 4.107 ( -4.053 7.493 1.175) 8.599 4.207 ( -5.469 0.625 -5.250) 7.606 4.242 ( 0.408 1.396 2.235) 2.666 4.282 ( -3.294 0.088 -0.319) 3.311 4.316 ( -0.865 -8.329 0.588) 8.395 4.429 ( -1.907 -3.882 -0.723) 4.386 4.466 ( -3.463 -8.027 0.430) 8.753 4.606 ( 1.399 9.100 0.041) 9.207 4.637 ( -3.911 2.499 -4.876) 6.732 4.690 ( -2.829 -2.621 -4.047) 5.590 4.792 ( 0.364 -9.345 -3.165) 9.874 4.902 ( -1.900 3.689 1.077) 4.287 4.943 ( -2.100 -0.479 -0.638) 2.246 4.970 ( -3.994 2.198 2.521) 5.209 5.042 ( -3.031 -3.158 1.062) 4.504 5.227 ( 2.522 5.371 -3.343) 6.810 5.316 ( 3.132 -3.210 -1.791) 4.829 5.359 ( -3.454 2.082 -2.042) 4.520 5.381 ( -2.705 -0.420 -0.306) 2.755 5.447 ( -1.042 2.071 -1.802) 2.936 5.498 ( -3.224 -3.201 -1.432) 4.763 5.565 ( 0.507 3.488 -2.202) 4.157 5.617 ( -0.985 5.294 -5.492) 7.692 5.651 ( 0.232 -4.639 -2.312) 5.188 5.746 ( -3.272 -7.259 -3.669) 8.767 5.876 ( 4.059 3.772 1.469) 5.732 5.946 ( -0.404 -1.578 4.281) 4.581 5.972 ( -6.007 -0.758 5.707) 8.320 6.030 ( -4.235 -5.858 -0.908) 7.286 6.095 ( 3.265 1.590 -5.476) 6.571 6.152 ( 1.864 -4.588 -2.173) 5.407 6.355 ( -3.469 3.206 1.622) 4.994 6.358 ( -3.896 2.233 -0.345) 4.504 6.433 ( -1.356 -0.837 1.062) 1.915 6.446 ( -1.255 -2.309 -2.843) 3.872 6.713 ( 0.909 1.524 0.619) 1.880 6.772 ( 2.966 -4.740 0.808) 5.650 6.993 ( -0.016 6.245 3.648) 7.232 7.118 ( 3.371 -6.843 3.412) 8.356 7.298 ( -0.346 5.175 0.499) 5.210 7.349 ( -0.405 -1.102 1.866) 2.204 7.483 ( -1.282 5.898 -2.475) 6.523 7.529 ( 1.002 0.214 -1.750) 2.028 7.627 ( -0.164 0.831 1.680) 1.881 7.692 ( 1.229 -5.417 0.338) 5.565 7.768 ( -1.420 2.977 2.112) 3.916 7.838 ( -0.282 -5.601 5.445) 7.817 8.176 ( 0.958 8.681 -1.010) 8.792 8.301 ( 2.135 -4.276 -0.940) 4.871 8.475 ( -7.066 2.568 -0.013) 7.518 8.512 ( -8.174 -0.487 2.435) 8.543 8.644 ( -5.830 1.414 -0.392) 6.012 8.699 ( -7.653 -4.968 0.673) 9.149 8.721 ( -1.128 6.630 -1.195) 6.831 8.842 ( 0.809 -5.694 -1.002) 5.838 8.942 ( 2.502 4.467 0.159) 5.122 8.986 ( 1.247 2.812 -2.306) 3.845 9.043 ( 1.182 -0.188 2.439) 2.717 9.138 ( 4.879 -6.894 -2.144) 8.714 9.260 ( -1.425 2.871 -2.403) 4.006 9.283 ( 0.637 0.821 -2.631) 2.829 9.379 ( 1.859 6.383 1.852) 6.901 9.478 ( 0.760 2.210 0.519) 2.393 9.552 ( 1.607 -2.306 1.272) 3.085 9.597 ( -0.011 -13.172 0.620) 13.187 9.840 ( 1.760 5.418 -0.980) 5.780 9.928 ( 1.382 -3.520 1.421) 4.040 10.114 ( -0.601 0.075 0.912) 1.095 10.128 ( 1.289 -1.514 -0.671) 2.099 10.254 ( 4.886 0.793 -1.303) 5.119 10.294 ( 1.261 -2.608 -0.415) 2.926 10.550 ( -0.334 3.038 1.630) 3.464 10.639 ( -0.435 -6.306 1.873) 6.593 10.708 ( 0.441 1.408 -0.305) 1.507 10.772 ( 1.038 -4.360 0.625) 4.525 11.061 ( 2.256 2.465 3.175) 4.609 11.107 ( 1.762 -2.598 2.380) 3.939 11.272 ( -2.209 2.977 -5.315) 6.481 11.318 ( -2.346 -1.409 -6.452) 7.009 11.834 ( 1.981 3.439 2.491) 4.686 11.925 ( 1.074 -7.040 2.727) 7.626 12.002 ( -1.035 5.869 -1.598) 6.170 12.109 ( -1.148 -5.420 -1.241) 5.678 12.305 ( -3.005 1.988 0.805) 3.692 12.307 ( 0.534 2.308 1.061) 2.596 12.358 ( -3.032 5.961 5.551) 8.692 12.470 ( -2.029 -3.092 6.472) 7.454 12.527 ( -3.289 4.665 -2.224) 6.126 12.616 ( -1.700 -4.518 -2.692) 5.528 12.658 ( -0.965 0.164 1.078) 1.456 12.706 ( -0.261 -5.356 -0.258) 5.368 12.875 ( -1.927 6.956 -0.041) 7.218 12.966 ( 3.644 -2.021 -4.534) 6.158 13.059 ( 1.085 2.447 0.619) 2.747 13.115 ( -0.794 5.113 -2.999) 5.980 13.142 ( 0.826 -5.899 2.950) 6.647 13.195 ( 3.337 -3.554 -4.422) 6.582 13.291 ( -7.238 3.563 1.310) 8.173 13.357 ( -1.783 -3.154 4.339) 5.653 13.469 ( -4.267 -2.627 -1.693) 5.289 13.476 ( 4.468 -1.828 1.111) 4.954 13.819 ( -1.125 4.836 3.915) 6.322 13.893 ( 1.346 -0.050 0.735) 1.535 14.007 ( -1.521 -0.398 7.061) 7.234 14.094 ( 2.980 -7.095 1.699) 7.881 14.463 ( -0.276 5.466 -2.217) 5.905 14.502 ( 0.931 9.759 -0.006) 9.803 14.523 ( -2.329 -1.402 -4.114) 4.931 14.646 ( -2.862 -4.094 1.014) 5.098 14.786 ( 0.647 6.322 -4.062) 7.542 14.883 ( -0.635 -4.841 -1.847) 5.220 15.301 ( -2.067 1.801 0.426) 2.775 15.326 ( -1.161 -0.528 -6.037) 6.170 15.394 ( -2.113 4.177 1.419) 4.891 15.467 ( 1.615 -4.126 -1.441) 4.659 15.611 ( -3.419 6.539 1.895) 7.618 15.653 ( -4.666 6.794 -3.767) 9.062 15.715 ( 1.955 4.676 -2.207) 5.528 15.901 ( 1.378 -8.796 -2.854) 9.349 15.988 ( 0.999 0.530 -1.202) 1.650 16.022 ( -0.732 -5.680 0.143) 5.729 16.217 ( 3.535 5.503 1.146) 6.640 16.338 ( 3.086 -6.300 0.370) 7.025 16.582 ( -2.539 5.788 -0.227) 6.325 16.684 ( 2.762 -5.380 0.465) 6.065 16.780 ( 0.221 2.771 -3.725) 4.648 16.821 ( 0.895 -1.253 -2.460) 2.902 19.155 ( 0.474 4.149 -1.930) 4.600 19.259 ( -0.751 -6.289 -1.593) 6.531 19.420 ( 0.466 6.334 0.178) 6.354 19.563 ( -0.796 -8.565 -1.595) 8.749 20.971 ( 0.827 6.337 0.978) 6.466 21.064 ( 1.329 -2.351 0.064) 2.701 21.102 ( 1.048 1.762 -0.163) 2.056 21.164 ( 2.838 -3.754 0.771) 4.768 24.999 ( 0.260 0.039 2.513) 2.526 25.005 ( 0.396 -0.478 0.732) 0.960 25.328 ( 2.244 1.107 1.664) 3.005 25.354 ( 1.758 -1.540 0.573) 2.406 26.030 ( -0.732 1.787 -3.459) 3.961 26.046 ( -0.138 0.006 -2.861) 2.864 26.118 ( -1.236 1.593 2.164) 2.958 26.133 ( -2.007 0.324 1.312) 2.420 26.620 ( 4.483 1.042 6.177) 7.703 26.671 ( 3.303 -4.471 5.131) 7.564 27.009 ( -0.861 2.925 0.682) 3.124 27.063 ( 0.496 -2.450 -0.504) 2.550 27.109 ( 1.626 0.671 -1.652) 2.413 27.131 ( 2.871 -1.573 -1.577) 3.633 27.361 ( 0.143 4.269 -1.944) 4.693 27.442 ( -0.274 -4.229 -1.914) 4.650 27.571 ( 1.286 6.421 1.485) 6.714 27.676 ( 2.542 -4.529 2.423) 5.731 27.831 ( -3.342 4.823 -4.469) 7.376 27.918 ( -1.170 -4.857 -2.195) 5.457 28.192 ( -1.999 5.604 -1.728) 6.196 28.231 ( -0.037 2.131 -0.627) 2.221 28.263 ( -0.589 -0.588 1.522) 1.734 28.313 ( -0.253 -6.389 -1.308) 6.526 28.380 ( -0.444 4.426 0.340) 4.461 28.454 ( 0.625 -2.656 1.001) 2.906 28.661 ( -4.527 0.911 1.594) 4.885 28.718 ( -3.532 -5.319 -0.020) 6.385 29.018 ( -8.136 7.502 -0.429) 11.076 29.151 ( -10.324 -6.666 -0.665) 12.307 29.499 ( -1.193 7.059 -1.379) 7.290 29.589 ( 5.682 -1.481 -3.372) 6.771 29.707 ( 1.054 5.425 7.058) 8.964 29.805 ( 0.725 -3.856 7.853) 8.778 29.974 ( 1.650 -0.189 0.714) 1.807 30.006 ( 7.688 -4.561 -3.298) 9.528 30.543 ( -7.275 1.617 -1.326) 7.570 30.613 ( -5.629 -5.743 0.173) 8.044 31.008 ( 8.629 8.794 0.316) 12.325 31.173 ( 10.854 -9.589 0.362) 14.488 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 6.034 21.802 7.109) 23.713 1.732 ( 14.399 12.308 0.180) 18.943 1.895 ( -2.707 -13.293 6.235) 14.930 1.967 ( 6.929 -9.617 -0.590) 11.868 2.210 ( -3.906 1.418 3.340) 5.331 2.260 ( 1.136 -3.942 3.249) 5.233 2.344 ( -5.847 3.195 -5.448) 8.607 2.370 ( 5.880 3.153 3.446) 7.509 2.416 ( -0.945 -4.797 -7.393) 8.864 2.483 ( 13.721 -3.920 4.428) 14.942 2.619 ( 1.812 0.487 -10.077) 10.250 2.646 ( 2.323 -4.668 -5.144) 7.324 2.671 ( -5.063 3.106 -3.282) 6.786 2.763 ( -7.487 -7.444 -2.314) 10.809 2.882 ( 0.402 2.463 5.140) 5.714 2.898 ( 3.827 4.696 5.696) 8.315 3.040 ( 7.498 7.020 -0.554) 10.286 3.120 ( 5.339 3.332 0.432) 6.308 3.221 ( -2.393 0.272 -1.731) 2.966 3.259 ( -1.843 1.842 2.357) 3.514 3.388 ( 4.381 5.671 -1.230) 7.271 3.412 ( 5.547 -1.985 -4.238) 7.257 3.535 ( 6.700 5.751 2.927) 9.302 3.686 ( 9.915 -11.034 4.891) 15.620 3.795 ( -1.137 3.331 -0.388) 3.541 3.841 ( -1.596 -1.535 0.291) 2.233 3.931 ( -0.219 9.527 3.324) 10.093 4.027 ( 1.228 0.056 -0.537) 1.342 4.063 ( 4.285 2.201 1.279) 4.985 4.077 ( 0.609 2.033 1.836) 2.806 4.102 ( -1.061 0.428 4.973) 5.103 4.208 ( -4.012 -3.166 -0.408) 5.127 4.281 ( -0.282 1.559 3.870) 4.182 4.331 ( -0.802 -5.295 4.290) 6.862 4.365 ( -5.235 -0.930 1.907) 5.649 4.402 ( -2.249 -4.260 -1.758) 5.128 4.516 ( -3.901 2.960 -1.544) 5.135 4.599 ( -1.020 -0.589 -3.350) 3.551 4.634 ( -1.688 -2.089 2.319) 3.548 4.712 ( -3.793 -5.210 -4.534) 7.880 4.857 ( -4.921 3.927 2.039) 6.618 4.902 ( -1.935 -0.509 -2.016) 2.841 4.963 ( -1.523 0.424 1.910) 2.479 5.008 ( -1.454 -4.605 2.249) 5.327 5.239 ( 2.917 5.243 -2.902) 6.665 5.272 ( -2.897 1.878 -2.548) 4.291 5.309 ( -0.024 -0.369 -3.146) 3.167 5.323 ( 0.214 -1.528 -4.051) 4.335 5.398 ( -3.023 4.361 -0.621) 5.342 5.468 ( -3.465 -2.702 -0.863) 4.478 5.531 ( -0.530 1.571 -3.404) 3.787 5.564 ( 0.106 0.819 -1.292) 1.533 5.595 ( -1.989 -0.221 -3.139) 3.723 5.685 ( -1.380 -6.278 0.364) 6.438 5.886 ( -4.118 -0.442 -0.014) 4.141 5.910 ( -4.114 -2.749 3.420) 6.015 5.951 ( 0.737 0.166 -3.862) 3.935 5.991 ( -2.245 -4.401 1.641) 5.206 6.125 ( 4.085 2.099 -1.545) 4.846 6.172 ( 2.588 -2.383 -3.230) 4.776 6.291 ( -2.590 1.378 -1.069) 3.123 6.319 ( -1.710 -1.187 -0.737) 2.209 6.409 ( -2.038 0.517 1.097) 2.371 6.428 ( -1.524 -1.095 3.073) 3.601 6.726 ( 0.032 3.290 0.137) 3.293 6.800 ( -0.113 -3.877 0.478) 3.908 7.027 ( -0.810 5.845 4.118) 7.196 7.159 ( -2.324 -6.830 1.772) 7.429 7.300 ( -0.741 4.084 0.793) 4.226 7.333 ( -1.781 0.162 -0.335) 1.820 7.419 ( -1.385 5.792 -3.393) 6.854 7.498 ( -0.670 -1.155 -4.498) 4.692 7.671 ( 0.402 -0.795 3.896) 3.997 7.713 ( 0.236 -4.740 2.432) 5.333 7.783 ( -0.852 4.206 4.821) 6.454 7.878 ( -0.237 -6.189 2.957) 6.863 8.161 ( -1.635 7.367 0.371) 7.555 8.286 ( -2.865 -4.860 -1.121) 5.752 8.391 ( -3.214 4.720 0.612) 5.743 8.450 ( -1.517 -0.116 1.068) 1.859 8.544 ( -4.093 1.948 -1.814) 4.882 8.604 ( -3.038 -4.917 -1.195) 5.902 8.686 ( -2.398 5.197 -0.435) 5.740 8.819 ( -3.588 -7.442 1.533) 8.403 8.932 ( 1.425 2.845 -3.497) 4.728 8.967 ( -1.760 -0.658 -0.690) 2.002 9.069 ( -0.912 8.005 -1.334) 8.166 9.162 ( 0.716 0.298 -1.229) 1.453 9.226 ( 1.785 0.383 -2.256) 2.902 9.268 ( 1.026 -3.087 -4.136) 5.262 9.457 ( 2.471 1.685 3.780) 4.820 9.482 ( -0.179 0.886 0.808) 1.212 9.586 ( 2.254 -1.675 -1.017) 2.987 9.633 ( 2.585 -8.766 -0.178) 9.141 9.863 ( 2.008 4.408 -0.386) 4.860 9.957 ( 0.483 -4.187 1.038) 4.341 10.110 ( -0.043 1.028 0.027) 1.029 10.139 ( 0.949 -2.407 -1.262) 2.879 10.310 ( 3.579 1.669 -2.621) 4.740 10.330 ( 3.201 -0.129 -0.827) 3.309 10.553 ( -2.621 2.639 3.241) 4.933 10.651 ( -1.487 -6.975 2.503) 7.558 10.710 ( 0.970 0.800 -1.285) 1.797 10.781 ( 0.862 -6.311 -2.991) 7.037 11.097 ( -0.832 4.454 -3.448) 5.693 11.169 ( -1.714 -2.769 -4.796) 5.798 11.215 ( 2.012 2.464 3.981) 5.096 11.224 ( 1.383 1.825 1.866) 2.954 11.899 ( 2.257 1.401 0.919) 2.811 11.929 ( -0.049 -0.645 -2.194) 2.287 12.033 ( 2.397 -0.264 4.355) 4.978 12.089 ( -0.627 -4.980 2.469) 5.593 12.264 ( -3.758 3.539 1.765) 5.455 12.324 ( -3.679 -1.033 4.004) 5.535 12.379 ( 0.466 1.890 5.090) 5.449 12.433 ( -4.867 -1.471 2.131) 5.513 12.456 ( -3.234 3.616 0.078) 4.852 12.568 ( -0.876 -5.170 -0.399) 5.259 12.673 ( 0.252 0.988 0.785) 1.287 12.702 ( -0.150 -3.909 1.468) 4.178 12.843 ( -2.217 8.499 0.299) 8.789 12.955 ( -1.001 -0.714 -5.218) 5.361 13.045 ( -0.495 0.181 -0.675) 0.856 13.100 ( 0.170 -0.354 1.125) 1.191 13.126 ( -2.995 0.576 -3.615) 4.730 13.190 ( 0.343 -5.987 -2.688) 6.572 13.254 ( -2.968 -0.624 -1.584) 3.422 13.288 ( 4.268 -3.354 2.155) 5.840 13.591 ( 10.034 1.036 2.100) 10.303 13.604 ( 7.579 -0.070 0.592) 7.603 13.831 ( -2.442 4.939 4.479) 7.101 13.905 ( -0.458 1.342 0.747) 1.603 14.021 ( -4.815 -0.606 7.757) 9.150 14.110 ( -4.503 -6.441 3.410) 8.567 14.333 ( -7.938 5.429 -6.784) 11.769 14.403 ( -3.988 -1.638 -4.384) 6.148 14.606 ( 1.324 1.820 3.151) 3.872 14.614 ( 0.005 2.874 2.607) 3.880 14.755 ( 2.416 5.673 -5.390) 8.190 14.870 ( 2.192 -6.232 -2.242) 6.976 15.245 ( 0.161 5.560 -5.270) 7.663 15.291 ( 0.358 -0.327 -0.729) 0.875 15.381 ( -1.407 5.681 2.117) 6.223 15.449 ( -0.927 -0.636 -3.030) 3.232 15.560 ( -3.038 4.002 -0.180) 5.028 15.573 ( -2.712 1.673 0.763) 3.276 15.751 ( 3.793 7.905 -1.927) 8.977 15.890 ( -0.442 -1.948 -1.448) 2.468 15.944 ( -0.924 -0.438 -3.914) 4.045 16.006 ( -1.428 -7.502 -0.469) 7.652 16.297 ( 4.298 5.255 0.104) 6.790 16.397 ( 3.566 -5.334 -1.705) 6.639 16.543 ( -1.883 6.397 3.015) 7.318 16.702 ( 0.367 -9.518 0.485) 9.538 16.839 ( 6.152 -0.939 -1.232) 6.343 16.845 ( 3.815 -1.321 -1.333) 4.251 19.152 ( 1.018 3.700 -0.821) 3.924 19.254 ( 0.743 -6.818 -0.413) 6.871 19.409 ( -1.489 5.684 0.216) 5.880 19.525 ( -1.830 -6.657 -1.223) 7.011 20.995 ( 1.396 4.902 -0.247) 5.103 21.067 ( -0.140 -2.856 -1.530) 3.243 21.124 ( 2.076 4.101 -1.213) 4.753 21.191 ( -0.494 -3.065 0.368) 3.126 25.024 ( 0.562 0.682 1.431) 1.682 25.035 ( 0.631 -0.576 2.340) 2.491 25.390 ( 2.491 0.144 1.387) 2.855 25.409 ( 3.119 -1.879 2.304) 4.309 25.977 ( -0.886 2.924 -3.107) 4.358 26.005 ( -0.726 0.011 -3.003) 3.090 26.132 ( -0.458 0.653 2.390) 2.520 26.134 ( -0.814 0.467 2.407) 2.583 26.723 ( 1.136 1.553 4.366) 4.771 26.779 ( 1.597 -4.736 6.321) 8.058 27.018 ( 0.726 1.298 2.332) 2.766 27.054 ( -0.489 -2.611 -0.316) 2.675 27.151 ( 5.144 1.680 -1.873) 5.727 27.184 ( 4.855 -1.785 -1.556) 5.401 27.351 ( 1.238 3.064 -1.965) 3.844 27.416 ( -0.261 -3.730 -2.124) 4.300 27.624 ( 2.089 7.429 2.806) 8.211 27.716 ( -3.894 0.328 -0.339) 3.923 27.782 ( 4.789 1.947 0.290) 5.178 27.877 ( -0.152 -5.307 -2.450) 5.847 28.133 ( -2.125 6.035 -1.592) 6.594 28.241 ( -1.139 -4.654 -0.128) 4.794 28.255 ( 0.976 2.643 0.111) 2.819 28.312 ( 1.477 -3.144 -0.791) 3.563 28.360 ( -2.229 5.294 -0.530) 5.768 28.451 ( -2.228 -3.534 -0.115) 4.179 28.572 ( -6.226 1.130 -0.481) 6.345 28.640 ( -3.441 -5.361 -3.863) 7.450 28.910 ( -6.245 3.842 3.080) 7.952 28.997 ( -7.865 -4.758 1.416) 9.300 29.397 ( -6.765 11.036 -2.209) 13.132 29.571 ( -1.301 -6.446 -4.159) 7.781 29.817 ( 0.381 5.643 7.765) 9.607 29.851 ( -0.275 1.298 2.997) 3.277 29.969 ( -0.241 2.100 -1.933) 2.864 30.091 ( 3.462 -10.563 -4.680) 12.061 30.429 ( -3.309 3.908 -1.915) 5.467 30.548 ( -0.925 -8.314 1.129) 8.441 31.193 ( 9.936 8.346 2.614) 13.236 31.349 ( 7.975 -8.768 1.350) 11.929 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.632 10.924 0.320) 10.947 1.796 ( -6.159 -5.517 -4.691) 9.507 1.865 ( -3.007 5.201 -5.256) 7.982 1.934 ( -6.851 4.827 -11.884) 14.542 1.970 ( -4.722 -3.931 -5.847) 8.482 2.036 ( -8.168 -3.744 -9.497) 13.074 2.244 ( 0.666 5.755 -8.150) 9.999 2.287 ( -1.308 0.303 1.411) 1.947 2.499 ( -1.474 -2.152 -2.856) 3.868 2.531 ( 2.749 -4.828 -10.997) 12.320 2.597 ( 2.097 0.167 3.275) 3.892 2.670 ( 1.829 -5.963 -0.534) 6.261 2.701 ( -0.475 -0.854 2.179) 2.388 2.741 ( -0.668 -6.163 5.387) 8.213 2.953 ( 1.125 3.642 -1.356) 4.046 3.000 ( 1.247 -1.590 3.226) 3.807 3.076 ( 3.725 5.266 -0.836) 6.504 3.165 ( 2.895 -1.795 -0.662) 3.470 3.228 ( 1.597 6.753 1.242) 7.049 3.276 ( 0.723 1.240 1.491) 2.070 3.452 ( 2.383 4.518 0.169) 5.111 3.498 ( 6.557 -0.695 -2.463) 7.039 3.705 ( -0.207 6.758 0.198) 6.764 3.760 ( 1.909 2.923 3.738) 5.115 3.810 ( 10.311 9.956 0.530) 14.343 3.860 ( -1.600 3.870 0.315) 4.199 3.985 ( -0.060 -3.867 -5.989) 7.129 4.013 ( 6.814 -2.799 4.650) 8.712 4.113 ( -3.929 3.095 7.504) 9.018 4.132 ( 2.282 -0.943 5.635) 6.152 4.165 ( -1.607 1.127 -1.122) 2.261 4.224 ( 0.727 -4.453 4.859) 6.631 4.312 ( -0.516 1.724 1.497) 2.341 4.354 ( 0.429 -3.715 2.151) 4.314 4.382 ( 4.356 1.208 2.953) 5.400 4.412 ( 1.338 -3.376 3.993) 5.397 4.479 ( 1.337 -2.380 -0.375) 2.756 4.568 ( -6.311 -10.545 -1.871) 12.431 4.589 ( -0.085 2.954 3.989) 4.964 4.648 ( -0.628 -1.387 1.516) 2.149 4.776 ( -6.412 2.977 0.265) 7.075 4.842 ( -3.595 -2.770 -1.284) 4.716 4.949 ( -0.941 2.698 1.330) 3.152 5.009 ( -0.052 -3.493 0.001) 3.494 5.218 ( -0.445 3.831 -2.082) 4.383 5.254 ( 1.682 2.105 -4.914) 5.604 5.303 ( 1.370 1.802 -0.427) 2.304 5.315 ( 1.557 2.476 -1.032) 3.102 5.352 ( -2.648 -0.695 0.888) 2.878 5.391 ( -2.214 -1.608 0.240) 2.747 5.472 ( -2.015 -1.369 -5.564) 6.074 5.487 ( -2.322 -2.144 -2.579) 4.079 5.629 ( 1.899 2.298 3.089) 4.293 5.698 ( 0.266 -4.328 3.203) 5.391 5.814 ( -3.526 0.760 0.638) 3.663 5.859 ( -1.895 -3.037 -2.448) 4.336 5.936 ( -0.872 -0.011 1.222) 1.501 5.972 ( -1.585 -3.734 0.250) 4.064 6.163 ( 0.843 -0.309 -3.062) 3.191 6.166 ( 2.110 -0.764 -1.243) 2.565 6.251 ( -0.192 -0.211 -1.975) 1.996 6.270 ( -1.705 -2.136 -2.281) 3.560 6.390 ( -2.291 1.716 1.561) 3.260 6.434 ( -1.426 -2.783 2.138) 3.788 6.735 ( 0.687 5.895 1.372) 6.091 6.818 ( 1.856 -1.391 1.753) 2.907 7.008 ( -4.345 2.157 -0.485) 4.876 7.080 ( -5.330 -3.412 -1.331) 6.468 7.272 ( -1.677 3.887 -0.968) 4.342 7.311 ( 0.091 -0.504 -0.427) 0.667 7.404 ( -0.127 -0.426 1.322) 1.394 7.455 ( 0.369 -2.878 -2.618) 3.908 7.684 ( -1.182 2.473 1.663) 3.206 7.759 ( 0.762 -4.259 3.495) 5.562 7.824 ( -0.375 3.382 4.568) 5.697 7.886 ( -0.074 -2.631 -0.628) 2.706 8.157 ( -0.432 4.260 2.072) 4.757 8.241 ( -0.537 -3.990 -0.070) 4.026 8.351 ( -2.109 6.401 0.043) 6.739 8.434 ( 0.301 2.390 -2.265) 3.306 8.474 ( -2.792 0.307 -0.395) 2.837 8.555 ( -0.933 -5.779 -2.427) 6.337 8.610 ( -5.332 6.584 -0.735) 8.504 8.780 ( -2.555 -8.748 2.062) 9.344 8.943 ( -0.197 1.981 -0.674) 2.102 8.945 ( 2.896 0.901 -1.908) 3.583 9.006 ( -2.181 6.777 -2.757) 7.634 9.145 ( -0.888 -4.534 -2.728) 5.366 9.219 ( -0.643 3.047 0.264) 3.125 9.295 ( 4.188 -2.757 -1.167) 5.148 9.484 ( -0.117 3.394 1.195) 3.600 9.519 ( 0.837 -0.387 0.420) 1.014 9.604 ( 1.269 -0.725 -1.240) 1.917 9.654 ( 1.008 -6.586 -1.026) 6.741 9.913 ( 3.006 3.952 1.267) 5.124 9.973 ( 0.516 -1.101 0.425) 1.288 10.118 ( 0.985 0.229 -0.551) 1.152 10.142 ( 0.580 -3.194 -0.206) 3.252 10.335 ( 1.776 3.083 -1.847) 4.009 10.353 ( 1.340 1.078 -2.321) 2.889 10.521 ( -3.793 1.260 1.888) 4.420 10.613 ( -3.574 -6.789 -0.857) 7.720 10.725 ( 1.159 -2.520 0.463) 2.812 10.750 ( -0.012 -5.108 -2.947) 5.897 11.033 ( -0.848 3.723 -3.359) 5.085 11.074 ( -1.465 -0.365 -3.803) 4.091 11.306 ( 3.221 3.987 2.302) 5.619 11.329 ( 2.529 1.505 4.927) 5.739 11.915 ( 0.118 -0.043 1.229) 1.235 11.930 ( 0.936 -1.302 -0.699) 1.750 12.122 ( 3.372 0.000 3.046) 4.544 12.141 ( 1.235 -0.979 4.062) 4.357 12.217 ( -3.236 0.549 2.166) 3.933 12.283 ( -3.808 -2.060 3.051) 5.296 12.362 ( -3.555 -3.539 -1.125) 5.141 12.398 ( -0.408 -5.050 -0.362) 5.080 12.502 ( 2.268 3.358 5.618) 6.927 12.557 ( -1.812 -1.453 1.767) 2.919 12.675 ( -0.155 4.467 0.638) 4.515 12.736 ( 1.489 -3.213 1.209) 3.742 12.794 ( -2.113 3.139 -1.570) 4.097 12.883 ( -1.267 -4.929 -3.471) 6.160 13.015 ( -1.669 2.355 -0.667) 2.962 13.075 ( -2.797 0.862 0.917) 3.067 13.086 ( 1.855 -1.267 -2.341) 3.244 13.158 ( -1.280 -4.433 -2.489) 5.243 13.280 ( 4.138 3.797 -0.203) 5.620 13.372 ( 3.152 -5.349 0.789) 6.259 13.713 ( 4.731 3.030 -0.176) 5.621 13.751 ( 6.335 -1.162 -0.562) 6.465 13.842 ( -0.482 6.300 3.033) 7.009 13.879 ( -1.199 3.033 -3.919) 5.099 14.008 ( -4.340 0.245 2.204) 4.873 14.057 ( -5.242 -4.757 8.967) 11.424 14.148 ( -5.454 6.982 -4.159) 9.788 14.296 ( -3.570 -7.345 -2.350) 8.499 14.565 ( -2.663 4.168 -0.598) 4.982 14.646 ( -0.809 -3.458 -0.914) 3.667 14.815 ( 4.814 6.586 1.637) 8.320 14.910 ( 2.850 -4.085 0.159) 4.984 15.226 ( 2.433 9.812 -3.694) 10.762 15.305 ( 1.757 0.007 -0.152) 1.763 15.384 ( -1.236 2.157 2.392) 3.450 15.397 ( -1.704 1.623 -2.144) 3.184 15.521 ( -1.522 2.821 0.194) 3.211 15.544 ( -1.129 0.966 -0.146) 1.493 15.795 ( 2.692 7.812 -1.081) 8.333 15.848 ( -2.615 3.751 0.059) 4.573 15.909 ( -0.187 -3.132 -2.113) 3.783 15.980 ( -0.479 -8.670 -0.998) 8.740 16.343 ( 1.768 2.698 -1.614) 3.607 16.418 ( 1.453 -5.708 -1.685) 6.126 16.577 ( 0.472 5.988 4.459) 7.481 16.729 ( 1.282 -9.337 1.503) 9.543 16.899 ( 2.966 -1.122 -0.455) 3.204 16.914 ( 4.042 -2.436 -1.927) 5.097 19.166 ( 0.760 3.526 0.000) 3.607 19.261 ( 0.156 -6.472 -0.007) 6.474 19.389 ( -1.133 4.708 0.741) 4.899 19.483 ( -1.673 -5.419 -0.749) 5.721 21.008 ( 0.480 3.019 -0.721) 3.141 21.045 ( 0.581 -0.757 -2.807) 2.965 21.139 ( 0.410 2.584 -0.017) 2.616 21.171 ( -1.318 -0.901 -0.053) 1.597 25.044 ( 0.349 1.088 0.841) 1.419 25.062 ( 0.337 -0.864 1.231) 1.541 25.438 ( 1.675 1.178 0.889) 2.232 25.482 ( 2.266 -3.754 2.047) 4.839 25.944 ( -0.387 2.859 -1.389) 3.202 25.973 ( -0.413 -0.075 -1.246) 1.315 26.140 ( -0.551 0.683 1.095) 1.403 26.142 ( -0.492 0.445 1.182) 1.356 26.756 ( -0.209 3.777 1.554) 4.089 26.841 ( -0.165 -5.530 3.901) 6.770 27.046 ( -0.111 0.795 1.025) 1.302 27.085 ( 2.274 -3.455 2.727) 4.954 27.222 ( 3.695 1.077 -0.340) 3.864 27.247 ( 3.667 -1.428 -1.354) 4.162 27.364 ( 1.247 1.448 -0.461) 1.966 27.394 ( -0.101 -1.822 -1.347) 2.268 27.647 ( -1.492 4.079 -1.912) 4.746 27.683 ( 1.845 0.943 0.841) 2.236 27.863 ( 3.856 2.950 1.321) 5.031 27.911 ( 2.294 -1.633 4.489) 5.299 28.099 ( -1.131 5.513 -0.563) 5.656 28.210 ( -2.478 -6.507 -0.382) 6.974 28.222 ( -4.278 6.607 -5.265) 9.470 28.314 ( 1.170 1.953 -0.568) 2.347 28.340 ( -1.985 -2.089 -2.909) 4.095 28.363 ( -0.584 -6.014 -1.020) 6.128 28.483 ( -3.360 2.552 -0.523) 4.251 28.552 ( -2.555 -4.535 -2.180) 5.643 28.848 ( -4.480 3.611 2.308) 6.200 28.914 ( -3.442 -1.728 0.935) 3.964 29.272 ( -4.961 10.831 -1.190) 11.973 29.489 ( -2.664 -10.301 -3.828) 11.307 29.864 ( -1.267 2.590 4.432) 5.287 29.879 ( -0.324 2.253 3.733) 4.372 29.945 ( -0.376 0.742 -1.543) 1.753 30.041 ( -1.421 -8.590 -5.556) 10.328 30.398 ( 0.773 9.412 -1.018) 9.499 30.592 ( 2.771 -11.176 1.507) 11.613 31.362 ( 6.138 5.628 2.485) 8.690 31.460 ( 3.523 -4.975 0.958) 6.171 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 5.053 0.000) 5.053 1.663 ( 0.000 -7.926 0.000) 7.926 1.757 ( 0.000 7.754 0.000) 7.754 1.865 ( 0.000 5.603 0.000) 5.603 1.909 ( -0.000 1.441 0.000) 1.441 1.913 ( 0.000 -6.764 0.000) 6.764 2.212 ( 0.000 7.415 0.000) 7.415 2.306 ( 0.000 -0.208 0.000) 0.208 2.467 ( 0.000 -0.655 -0.000) 0.655 2.487 ( -0.000 -5.811 0.000) 5.811 2.636 ( 0.000 1.504 0.000) 1.504 2.665 ( 0.000 -1.830 -0.000) 1.830 2.725 ( 0.000 -3.234 0.000) 3.234 2.751 ( 0.000 -7.151 0.000) 7.151 2.942 ( 0.000 3.235 0.000) 3.235 2.983 ( 0.000 -1.182 -0.000) 1.182 3.171 ( 0.000 4.512 0.000) 4.512 3.199 ( 0.000 5.047 0.000) 5.047 3.258 ( -0.000 3.393 -0.000) 3.393 3.264 ( 0.000 -3.946 0.000) 3.946 3.461 ( 0.000 5.432 0.000) 5.432 3.543 ( 0.000 -2.863 0.000) 2.863 3.719 ( 0.000 11.830 0.000) 11.830 3.772 ( 0.000 2.553 0.000) 2.553 3.833 ( 0.000 -4.449 -0.000) 4.449 3.927 ( 0.000 -7.780 0.000) 7.780 4.017 ( -0.000 11.158 0.000) 11.158 4.085 ( 0.000 9.490 0.000) 9.490 4.104 ( 0.000 3.276 0.000) 3.276 4.118 ( 0.000 7.003 0.000) 7.003 4.247 ( -0.000 2.399 -0.000) 2.399 4.247 ( 0.000 2.065 0.000) 2.065 4.290 ( 0.000 -3.679 0.000) 3.679 4.341 ( 0.000 -6.034 -0.000) 6.034 4.423 ( 0.000 -12.734 0.000) 12.734 4.446 ( -0.000 -14.028 -0.000) 14.028 4.507 ( 0.000 4.915 -0.000) 4.915 4.594 ( 0.000 -4.113 0.000) 4.113 4.624 ( -0.000 -1.381 -0.000) 1.381 4.649 ( 0.000 0.191 0.000) 0.191 4.661 ( 0.000 5.888 0.000) 5.888 4.783 ( 0.000 -5.241 -0.000) 5.241 4.956 ( 0.000 2.530 0.000) 2.530 5.009 ( 0.000 -2.924 -0.000) 2.924 5.212 ( 0.000 1.566 0.000) 1.566 5.226 ( 0.000 2.677 -0.000) 2.677 5.309 ( 0.000 7.238 -0.000) 7.238 5.328 ( -0.000 -0.258 0.000) 0.258 5.339 ( 0.000 0.699 -0.000) 0.699 5.371 ( 0.000 -1.666 0.000) 1.666 5.421 ( 0.000 -1.376 0.000) 1.376 5.466 ( 0.000 -4.730 0.000) 4.730 5.665 ( 0.000 2.434 0.000) 2.434 5.720 ( 0.000 -3.935 -0.000) 3.935 5.807 ( 0.000 0.113 0.000) 0.113 5.812 ( 0.000 0.754 -0.000) 0.754 5.939 ( 0.000 -2.765 0.000) 2.765 5.949 ( 0.000 -2.752 0.000) 2.752 6.155 ( 0.000 -0.266 0.000) 0.266 6.176 ( 0.000 -2.539 -0.000) 2.539 6.241 ( 0.000 -1.053 0.000) 1.053 6.243 ( -0.000 -0.890 0.000) 0.890 6.372 ( 0.000 1.703 0.000) 1.703 6.427 ( 0.000 -3.991 0.000) 3.991 6.758 ( 0.000 8.497 0.000) 8.497 6.899 ( -0.000 -6.074 -0.000) 6.074 6.902 ( 0.000 6.889 0.000) 6.889 7.017 ( 0.000 -5.223 -0.000) 5.223 7.251 ( 0.000 4.886 0.000) 4.886 7.314 ( 0.000 -2.038 0.000) 2.038 7.410 ( 0.000 -0.824 0.000) 0.824 7.449 ( 0.000 -4.762 -0.000) 4.762 7.682 ( 0.000 5.489 0.000) 5.489 7.787 ( 0.000 -4.724 0.000) 4.724 7.848 ( 0.000 1.905 -0.000) 1.905 7.875 ( 0.000 -1.010 0.000) 1.010 8.167 ( 0.000 4.870 0.000) 4.870 8.248 ( 0.000 -2.810 0.000) 2.810 8.331 ( 0.000 4.454 0.000) 4.454 8.425 ( 0.000 2.493 -0.000) 2.493 8.448 ( 0.000 -4.548 0.000) 4.548 8.514 ( 0.000 -0.011 0.000) 0.011 8.561 ( 0.000 7.766 0.000) 7.766 8.770 ( 0.000 -9.700 -0.000) 9.700 8.930 ( 0.000 7.316 0.000) 7.316 8.973 ( -0.000 2.208 0.000) 2.208 8.974 ( 0.000 0.644 -0.000) 0.644 9.110 ( 0.000 -10.895 0.000) 10.895 9.220 ( 0.000 7.960 0.000) 7.960 9.333 ( 0.000 -3.548 -0.000) 3.548 9.489 ( 0.000 2.955 0.000) 2.955 9.518 ( 0.000 -0.871 0.000) 0.871 9.607 ( 0.000 1.075 0.000) 1.075 9.661 ( 0.000 -5.406 0.000) 5.406 9.959 ( 0.000 2.439 -0.000) 2.439 9.975 ( 0.000 1.494 0.000) 1.494 10.122 ( 0.000 -0.535 0.000) 0.535 10.151 ( 0.000 -2.401 0.000) 2.401 10.334 ( 0.000 3.887 0.000) 3.887 10.351 ( 0.000 1.308 -0.000) 1.308 10.491 ( 0.000 -0.916 0.000) 0.916 10.564 ( 0.000 -6.855 0.000) 6.855 10.734 ( 0.000 -3.658 0.000) 3.658 10.744 ( 0.000 -3.844 0.000) 3.844 11.010 ( 0.000 3.191 0.000) 3.191 11.044 ( 0.000 -0.235 0.000) 0.235 11.347 ( 0.000 4.637 -0.000) 4.637 11.376 ( 0.000 1.933 0.000) 1.933 11.927 ( 0.000 -0.152 0.000) 0.152 11.938 ( 0.000 -1.637 0.000) 1.637 12.165 ( 0.000 6.397 0.000) 6.397 12.180 ( 0.000 -1.517 -0.000) 1.517 12.206 ( 0.000 -5.000 -0.000) 5.000 12.287 ( 0.000 1.748 0.000) 1.748 12.304 ( 0.000 -8.733 0.000) 8.733 12.387 ( 0.000 -7.654 0.000) 7.654 12.542 ( 0.000 2.159 -0.000) 2.159 12.558 ( 0.000 -0.212 0.000) 0.212 12.680 ( 0.000 8.252 0.000) 8.252 12.761 ( 0.000 -1.774 0.000) 1.774 12.763 ( 0.000 -1.386 0.000) 1.386 12.855 ( 0.000 -8.279 0.000) 8.279 13.000 ( 0.000 6.204 -0.000) 6.204 13.057 ( 0.000 3.247 -0.000) 3.247 13.092 ( 0.000 -1.972 0.000) 1.972 13.128 ( 0.000 -5.205 0.000) 5.205 13.321 ( 0.000 2.837 0.000) 2.837 13.403 ( 0.000 -5.466 0.000) 5.466 13.777 ( 0.000 1.916 -0.000) 1.916 13.791 ( 0.000 2.965 0.000) 2.965 13.824 ( -0.000 1.371 0.000) 1.371 13.839 ( 0.000 2.667 -0.000) 2.667 13.974 ( 0.000 7.452 -0.000) 7.452 14.075 ( 0.000 7.980 -0.000) 7.980 14.089 ( -0.000 -6.611 0.000) 6.611 14.251 ( 0.000 -9.685 0.000) 9.685 14.533 ( 0.000 4.075 0.000) 4.075 14.629 ( 0.000 -4.210 -0.000) 4.210 14.871 ( 0.000 5.440 -0.000) 5.440 14.940 ( 0.000 -2.449 0.000) 2.449 15.232 ( 0.000 11.822 0.000) 11.822 15.340 ( 0.000 -1.171 0.000) 1.171 15.351 ( 0.000 3.123 0.000) 3.123 15.387 ( 0.000 -0.728 0.000) 0.728 15.510 ( 0.000 2.624 0.000) 2.624 15.533 ( 0.000 1.627 -0.000) 1.627 15.808 ( 0.000 6.502 -0.000) 6.502 15.830 ( 0.000 4.891 -0.000) 4.891 15.894 ( 0.000 -3.612 0.000) 3.612 15.971 ( 0.000 -7.664 0.000) 7.664 16.345 ( 0.000 1.418 0.000) 1.418 16.422 ( 0.000 -7.232 -0.000) 7.232 16.611 ( 0.000 7.063 0.000) 7.063 16.751 ( 0.000 -7.438 0.000) 7.438 16.925 ( 0.000 -2.152 0.000) 2.152 16.936 ( 0.000 -2.642 -0.000) 2.642 19.173 ( 0.000 3.281 0.000) 3.281 19.261 ( 0.000 -6.217 0.000) 6.217 19.385 ( 0.000 3.937 -0.000) 3.937 19.463 ( 0.000 -4.658 0.000) 4.658 21.004 ( 0.000 2.577 0.000) 2.577 21.038 ( 0.000 -0.934 -0.000) 0.934 21.140 ( 0.000 2.490 0.000) 2.490 21.160 ( 0.000 0.078 0.000) 0.078 25.051 ( 0.000 1.167 0.000) 1.167 25.071 ( 0.000 -0.966 0.000) 0.966 25.458 ( 0.000 1.706 0.000) 1.706 25.514 ( 0.000 -4.484 0.000) 4.484 25.934 ( 0.000 2.836 0.000) 2.836 25.964 ( 0.000 -0.169 0.000) 0.169 26.140 ( 0.000 0.748 -0.000) 0.748 26.143 ( 0.000 0.358 0.000) 0.358 26.760 ( 0.000 4.650 0.000) 4.650 26.858 ( 0.000 -5.955 0.000) 5.955 27.052 ( 0.000 2.391 0.000) 2.391 27.124 ( 0.000 -5.537 0.000) 5.537 27.252 ( 0.000 0.821 -0.000) 0.821 27.274 ( 0.000 -1.422 -0.000) 1.422 27.372 ( 0.000 0.988 0.000) 0.988 27.387 ( 0.000 -0.816 0.000) 0.816 27.628 ( 0.000 4.866 0.000) 4.866 27.702 ( 0.000 -3.464 -0.000) 3.464 27.965 ( 0.000 5.551 0.000) 5.551 27.981 ( -0.000 6.847 -0.000) 6.847 28.009 ( 0.000 -2.289 0.000) 2.289 28.143 ( 0.000 -8.592 -0.000) 8.592 28.160 ( 0.000 8.563 0.000) 8.563 28.296 ( 0.000 -5.406 -0.000) 5.406 28.331 ( 0.000 2.807 0.000) 2.807 28.395 ( 0.000 -4.067 0.000) 4.067 28.435 ( 0.000 3.838 0.000) 3.838 28.516 ( 0.000 -4.974 0.000) 4.974 28.816 ( 0.000 5.219 0.000) 5.219 28.890 ( 0.000 -0.255 0.000) 0.255 29.222 ( 0.000 9.109 0.000) 9.109 29.441 ( 0.000 -11.739 0.000) 11.739 29.875 ( 0.000 3.101 0.000) 3.101 29.908 ( 0.000 2.511 0.000) 2.511 29.926 ( 0.000 -2.369 -0.000) 2.369 29.990 ( 0.000 -7.136 0.000) 7.136 30.405 ( 0.000 11.759 -0.000) 11.759 30.629 ( 0.000 -12.312 0.000) 12.312 31.432 ( 0.000 3.794 0.000) 3.794 31.492 ( 0.000 -2.711 0.000) 2.711 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -9.979 0.000 28.575) 30.268 0.740 ( -8.593 0.000 36.863) 37.851 1.178 ( 7.426 0.000 57.944) 58.418 1.908 ( 8.488 0.000 13.510) 15.955 1.964 ( 11.545 0.000 -16.425) 20.076 2.203 ( 7.468 0.000 -0.054) 7.468 2.338 ( 8.625 0.000 -6.215) 10.631 2.363 ( -0.693 0.000 0.691) 0.979 2.466 ( -2.489 0.000 9.127) 9.460 2.482 ( 1.111 0.000 -4.362) 4.501 2.575 ( -1.732 0.000 -5.851) 6.102 2.668 ( 4.339 0.000 -3.755) 5.738 2.711 ( -0.021 0.000 2.129) 2.129 2.789 ( 2.728 0.000 0.682) 2.812 2.861 ( -1.399 0.000 3.994) 4.232 2.961 ( -4.972 0.000 0.141) 4.974 3.010 ( -2.840 0.000 -3.777) 4.726 3.080 ( 4.105 0.000 4.786) 6.305 3.155 ( 2.784 0.000 1.034) 2.970 3.227 ( -10.333 0.000 0.229) 10.335 3.316 ( 5.110 0.000 1.619) 5.360 3.318 ( 0.963 0.000 -5.707) 5.787 3.513 ( -2.590 0.000 5.480) 6.061 3.617 ( 8.106 0.000 2.715) 8.549 3.679 ( 3.475 0.000 -3.258) 4.763 3.811 ( 3.333 0.000 -4.397) 5.518 3.856 ( -1.553 0.000 5.364) 5.584 3.949 ( -5.064 0.000 -5.538) 7.504 4.001 ( -2.528 0.000 1.258) 2.824 4.112 ( -1.912 0.000 1.328) 2.328 4.132 ( -5.206 0.000 3.624) 6.343 4.252 ( -5.470 0.000 -3.284) 6.380 4.324 ( 4.114 0.000 -4.529) 6.119 4.326 ( -1.664 0.000 1.249) 2.080 4.433 ( -2.418 0.000 -3.168) 3.986 4.567 ( -1.053 0.000 -1.459) 1.799 4.644 ( 6.024 0.000 -3.496) 6.965 4.656 ( -4.453 0.000 -3.530) 5.683 4.713 ( 3.584 0.000 5.075) 6.213 4.786 ( 1.983 0.000 3.447) 3.977 4.787 ( 1.529 0.000 -0.103) 1.532 4.970 ( 0.035 0.000 4.412) 4.412 5.074 ( 4.349 0.000 -6.169) 7.548 5.087 ( 0.633 0.000 -4.266) 4.313 5.156 ( -4.543 0.000 -6.300) 7.767 5.246 ( -4.629 0.000 -4.599) 6.525 5.287 ( -4.692 0.000 -5.321) 7.094 5.404 ( 3.669 0.000 -2.817) 4.626 5.407 ( -2.474 0.000 -0.812) 2.603 5.483 ( -3.064 0.000 2.681) 4.071 5.602 ( -3.002 0.000 -1.875) 3.539 5.646 ( -6.038 0.000 -2.881) 6.690 5.789 ( 2.274 0.000 -6.296) 6.694 5.832 ( 1.342 0.000 0.060) 1.343 5.914 ( 0.492 0.000 3.131) 3.169 6.007 ( 0.963 0.000 -3.260) 3.399 6.040 ( -5.346 0.000 0.183) 5.350 6.075 ( 2.622 0.000 -2.517) 3.634 6.118 ( -0.933 0.000 0.019) 0.933 6.203 ( 6.433 0.000 0.059) 6.433 6.256 ( -1.983 0.000 3.365) 3.906 6.311 ( 3.612 0.000 -0.034) 3.613 6.462 ( 1.450 0.000 -0.456) 1.520 6.511 ( -1.495 0.000 1.559) 2.160 6.739 ( 3.059 0.000 5.866) 6.616 6.859 ( 0.886 0.000 9.611) 9.652 6.947 ( 3.203 0.000 1.080) 3.380 7.065 ( -2.767 0.000 2.168) 3.515 7.185 ( -3.826 0.000 -1.017) 3.959 7.237 ( 0.738 0.000 -1.409) 1.591 7.372 ( 10.808 0.000 0.274) 10.811 7.458 ( -1.402 0.000 -1.412) 1.990 7.674 ( 1.617 0.000 2.454) 2.939 7.683 ( 0.036 0.000 3.706) 3.706 7.759 ( 1.329 0.000 1.864) 2.289 7.897 ( -1.097 0.000 -2.852) 3.056 8.373 ( 0.453 0.000 -2.136) 2.184 8.416 ( 16.400 0.000 -3.134) 16.697 8.469 ( 4.335 0.000 -1.330) 4.534 8.470 ( 4.380 0.000 -5.207) 6.804 8.523 ( -0.268 0.000 2.365) 2.380 8.747 ( -5.503 0.000 -0.920) 5.579 8.752 ( -6.773 0.000 1.705) 6.984 8.768 ( 0.609 0.000 0.051) 0.611 8.952 ( 1.640 0.000 -0.330) 1.673 8.995 ( -0.169 0.000 -1.255) 1.267 9.095 ( 2.543 0.000 -2.326) 3.446 9.149 ( 3.822 0.000 -3.029) 4.877 9.218 ( -2.511 0.000 2.571) 3.594 9.298 ( -4.060 0.000 -2.184) 4.610 9.339 ( -10.376 0.000 1.035) 10.428 9.454 ( -4.795 0.000 4.610) 6.651 9.514 ( 5.182 0.000 -1.717) 5.459 9.644 ( -3.362 0.000 4.913) 5.953 9.885 ( -0.353 0.000 0.239) 0.426 10.019 ( 3.658 0.000 -6.039) 7.060 10.039 ( 6.266 0.000 -6.057) 8.715 10.198 ( -1.992 0.000 -2.655) 3.319 10.278 ( -4.920 0.000 5.951) 7.722 10.308 ( -2.264 0.000 1.480) 2.704 10.717 ( 6.682 0.000 4.671) 8.153 10.740 ( 0.454 0.000 -1.254) 1.334 10.814 ( 2.200 0.000 3.973) 4.542 10.900 ( -2.584 0.000 2.380) 3.513 11.002 ( 4.145 0.000 4.346) 6.005 11.100 ( 3.140 0.000 -10.442) 10.904 11.267 ( -2.509 0.000 -5.800) 6.320 11.357 ( -1.423 0.000 -2.281) 2.689 11.909 ( 1.197 0.000 2.163) 2.472 12.034 ( -10.052 0.000 -3.459) 10.631 12.102 ( -0.506 0.000 3.302) 3.340 12.222 ( 0.561 0.000 1.070) 1.208 12.233 ( 0.335 0.000 4.580) 4.593 12.257 ( -0.311 0.000 4.112) 4.124 12.300 ( 0.581 0.000 1.320) 1.442 12.360 ( -0.820 0.000 -0.622) 1.029 12.401 ( 1.229 0.000 -1.094) 1.645 12.606 ( 1.512 0.000 3.872) 4.156 12.768 ( -3.310 0.000 1.482) 3.627 12.803 ( -0.282 0.000 -5.335) 5.342 12.948 ( 0.162 0.000 -4.915) 4.917 12.964 ( 7.261 0.000 -0.384) 7.271 13.045 ( 1.585 0.000 -1.739) 2.353 13.078 ( -8.479 0.000 3.864) 9.318 13.130 ( -0.568 0.000 2.837) 2.893 13.157 ( -0.366 0.000 2.835) 2.858 13.274 ( -2.703 0.000 -0.590) 2.767 13.482 ( 18.671 0.000 2.667) 18.861 13.506 ( 1.566 0.000 1.902) 2.464 13.614 ( 3.939 0.000 -0.175) 3.943 13.697 ( -1.600 0.000 -1.075) 1.928 13.916 ( 6.003 0.000 5.839) 8.374 13.979 ( -0.379 0.000 -7.835) 7.844 14.144 ( -5.122 0.000 -1.936) 5.475 14.153 ( -2.272 0.000 1.148) 2.546 14.294 ( 1.031 0.000 3.093) 3.261 14.514 ( -0.440 0.000 -6.353) 6.368 14.537 ( -1.352 0.000 -5.389) 5.556 14.771 ( -15.996 0.000 4.735) 16.682 14.817 ( 3.059 0.000 2.622) 4.029 15.031 ( 1.078 0.000 0.631) 1.249 15.234 ( -1.671 0.000 -0.590) 1.773 15.332 ( 0.014 0.000 -1.731) 1.731 15.426 ( -3.678 0.000 -6.735) 7.673 15.453 ( -1.057 0.000 3.218) 3.387 15.561 ( 0.423 0.000 -0.046) 0.425 15.893 ( -33.312 0.000 3.743) 33.521 15.928 ( -1.692 0.000 4.034) 4.375 16.086 ( -2.801 0.000 -3.232) 4.277 16.128 ( 1.016 0.000 4.676) 4.785 16.296 ( 2.840 0.000 -4.949) 5.706 16.414 ( 5.749 0.000 -0.778) 5.801 16.503 ( -12.156 0.000 -4.420) 12.935 16.641 ( 3.491 0.000 -3.126) 4.686 16.705 ( -1.519 0.000 1.768) 2.331 16.717 ( -0.776 0.000 1.672) 1.844 19.053 ( -2.940 0.000 0.692) 3.020 19.195 ( 1.132 0.000 -3.329) 3.516 19.502 ( 0.334 0.000 2.645) 2.666 19.697 ( -0.696 0.000 -1.603) 1.748 20.805 ( -0.238 0.000 2.081) 2.094 20.950 ( -0.559 0.000 -1.506) 1.606 21.194 ( -0.496 0.000 2.135) 2.192 21.388 ( 5.682 0.000 -2.228) 6.103 25.005 ( -0.924 0.000 0.981) 1.348 25.233 ( -5.880 0.000 -5.805) 8.262 25.324 ( 2.483 0.000 6.193) 6.672 25.444 ( -10.089 0.000 3.650) 10.729 25.901 ( -1.346 0.000 -3.788) 4.020 25.979 ( -1.696 0.000 -4.920) 5.204 26.088 ( 0.879 0.000 3.650) 3.754 26.144 ( -1.213 0.000 2.564) 2.837 26.605 ( 23.285 0.000 2.961) 23.473 26.647 ( 1.887 0.000 4.355) 4.746 26.936 ( 0.575 0.000 4.364) 4.401 27.053 ( -5.555 0.000 -1.586) 5.777 27.061 ( -1.532 0.000 -1.352) 2.043 27.262 ( -0.837 0.000 -2.128) 2.287 27.434 ( -1.074 0.000 -1.448) 1.802 27.455 ( -8.154 0.000 -0.146) 8.155 27.478 ( 1.083 0.000 -1.631) 1.958 27.539 ( -1.271 0.000 -4.134) 4.325 27.793 ( 3.960 0.000 3.480) 5.271 28.083 ( -1.380 0.000 -3.587) 3.843 28.108 ( -3.589 0.000 -2.165) 4.191 28.123 ( -0.717 0.000 -1.064) 1.283 28.236 ( 0.713 0.000 2.577) 2.674 28.397 ( 15.441 0.000 -2.191) 15.596 28.501 ( 3.635 0.000 -0.284) 3.646 28.541 ( -1.882 0.000 0.150) 1.888 28.793 ( 0.940 0.000 5.532) 5.612 28.965 ( -4.174 0.000 2.598) 4.917 29.034 ( -29.243 0.000 2.803) 29.377 29.264 ( 2.281 0.000 -2.751) 3.573 29.352 ( 6.155 0.000 -2.367) 6.595 29.447 ( -1.186 0.000 -4.196) 4.361 29.688 ( -7.726 0.000 3.363) 8.426 29.826 ( 29.000 0.000 -0.308) 29.001 29.904 ( -2.411 0.000 7.228) 7.620 30.243 ( 1.113 0.000 -2.105) 2.381 30.596 ( 4.434 0.000 -1.436) 4.661 30.648 ( -5.966 0.000 -1.589) 6.174 30.896 ( -2.084 0.000 0.428) 2.127 31.042 ( 19.712 0.000 -2.054) 19.818 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 6.795 0.000 20.573) 21.666 0.919 ( -0.010 0.000 28.690) 28.690 1.968 ( 14.359 0.000 -12.908) 19.308 2.136 ( 24.764 0.000 33.912) 41.992 2.138 ( 4.503 0.000 -3.690) 5.822 2.304 ( -4.819 0.000 -16.446) 17.138 2.304 ( -2.069 0.000 0.047) 2.070 2.391 ( 8.105 0.000 -2.450) 8.467 2.447 ( -5.521 0.000 -1.491) 5.719 2.493 ( 2.204 0.000 2.314) 3.195 2.505 ( -2.246 0.000 5.777) 6.198 2.734 ( 0.560 0.000 4.574) 4.608 2.755 ( 5.835 0.000 3.985) 7.066 2.828 ( -5.471 0.000 -2.509) 6.019 2.835 ( 0.233 0.000 0.387) 0.452 2.919 ( -3.420 0.000 4.016) 5.275 2.934 ( -1.687 0.000 -0.662) 1.812 3.018 ( -2.426 0.000 -5.310) 5.838 3.159 ( -0.010 0.000 1.324) 1.324 3.225 ( -0.407 0.000 2.294) 2.330 3.261 ( 3.154 0.000 -10.190) 10.667 3.352 ( -1.226 0.000 2.347) 2.648 3.552 ( -0.835 0.000 9.469) 9.505 3.692 ( 0.135 0.000 -2.072) 2.077 3.759 ( -3.580 0.000 -7.538) 8.345 3.779 ( 5.465 0.000 -2.594) 6.050 3.929 ( 0.537 0.000 8.926) 8.943 3.951 ( 4.057 0.000 -2.039) 4.541 3.993 ( 9.190 0.000 10.967) 14.308 4.015 ( -2.861 0.000 -9.638) 10.054 4.081 ( -2.612 0.000 2.460) 3.588 4.147 ( -5.165 0.000 -6.859) 8.586 4.293 ( -2.475 0.000 -0.449) 2.516 4.314 ( 3.299 0.000 -3.657) 4.925 4.445 ( 1.176 0.000 5.187) 5.318 4.528 ( -1.355 0.000 -2.821) 3.129 4.551 ( -2.198 0.000 -2.408) 3.260 4.693 ( -0.681 0.000 5.437) 5.480 4.794 ( -2.631 0.000 0.294) 2.647 4.826 ( 2.335 0.000 2.611) 3.502 4.852 ( 1.001 0.000 2.547) 2.737 4.995 ( -2.344 0.000 4.622) 5.182 5.008 ( -4.453 0.000 -6.530) 7.904 5.043 ( 0.626 0.000 -7.471) 7.497 5.060 ( 0.284 0.000 -3.484) 3.495 5.135 ( 2.817 0.000 -7.068) 7.608 5.190 ( -2.978 0.000 0.966) 3.131 5.333 ( -2.519 0.000 -4.794) 5.416 5.363 ( -2.765 0.000 -3.273) 4.284 5.496 ( 3.038 0.000 -1.804) 3.533 5.535 ( -3.660 0.000 -0.185) 3.665 5.592 ( -1.722 0.000 4.262) 4.596 5.797 ( 2.235 0.000 -2.596) 3.426 5.819 ( -3.329 0.000 -0.200) 3.335 5.928 ( -0.335 0.000 -1.223) 1.268 5.938 ( -5.637 0.000 0.954) 5.717 6.007 ( 2.767 0.000 -4.683) 5.439 6.059 ( 0.023 0.000 -2.604) 2.604 6.145 ( 1.496 0.000 2.940) 3.299 6.232 ( -0.114 0.000 -3.765) 3.766 6.275 ( 0.435 0.000 2.088) 2.133 6.324 ( -0.923 0.000 3.649) 3.764 6.492 ( 1.379 0.000 1.469) 2.015 6.509 ( -1.677 0.000 0.776) 1.848 6.755 ( -3.643 0.000 4.276) 5.618 6.929 ( -7.933 0.000 -0.326) 7.940 7.037 ( 0.267 0.000 3.410) 3.420 7.048 ( 6.159 0.000 4.473) 7.612 7.114 ( -2.242 0.000 -2.178) 3.125 7.230 ( 0.887 0.000 -4.082) 4.178 7.436 ( 0.151 0.000 -2.217) 2.222 7.521 ( 8.075 0.000 -0.777) 8.113 7.700 ( -0.921 0.000 3.370) 3.493 7.716 ( -1.508 0.000 4.102) 4.370 7.826 ( -1.233 0.000 -3.623) 3.827 7.826 ( 2.945 0.000 1.772) 3.437 8.336 ( -7.821 0.000 -1.339) 7.935 8.351 ( 1.097 0.000 -3.834) 3.988 8.483 ( -3.881 0.000 -1.045) 4.019 8.494 ( -1.837 0.000 -0.760) 1.987 8.532 ( -7.933 0.000 2.071) 8.199 8.617 ( -4.122 0.000 -2.891) 5.034 8.727 ( 5.899 0.000 0.123) 5.900 8.770 ( 0.718 0.000 -1.710) 1.854 8.923 ( -2.697 0.000 -3.882) 4.727 8.966 ( -1.897 0.000 -0.274) 1.917 9.091 ( -0.751 0.000 0.590) 0.955 9.114 ( -4.570 0.000 -3.009) 5.472 9.187 ( -1.365 0.000 1.598) 2.102 9.231 ( -0.858 0.000 0.188) 0.878 9.425 ( 8.051 0.000 2.467) 8.421 9.496 ( 1.693 0.000 4.452) 4.763 9.596 ( 4.574 0.000 -2.170) 5.063 9.662 ( 1.639 0.000 1.897) 2.507 9.892 ( 1.021 0.000 0.720) 1.249 10.009 ( 1.552 0.000 -4.897) 5.137 10.065 ( 4.908 0.000 -7.442) 8.914 10.137 ( -1.552 0.000 -2.754) 3.161 10.247 ( -5.359 0.000 4.192) 6.803 10.304 ( -0.122 0.000 1.595) 1.600 10.735 ( 0.482 0.000 -1.181) 1.275 10.749 ( -4.480 0.000 4.262) 6.184 10.877 ( 0.420 0.000 2.161) 2.202 10.916 ( 1.820 0.000 5.524) 5.816 11.015 ( -1.363 0.000 -11.455) 11.536 11.134 ( -3.902 0.000 -6.889) 7.917 11.145 ( 4.845 0.000 7.063) 8.565 11.248 ( -8.790 0.000 -3.042) 9.302 11.899 ( -2.853 0.000 3.648) 4.631 11.978 ( 3.184 0.000 3.343) 4.616 12.078 ( -3.491 0.000 1.264) 3.713 12.198 ( -4.020 0.000 1.121) 4.173 12.288 ( -0.703 0.000 0.880) 1.127 12.300 ( -0.228 0.000 0.621) 0.661 12.334 ( 1.965 0.000 3.963) 4.423 12.352 ( 5.457 0.000 4.943) 7.362 12.468 ( 3.343 0.000 -1.495) 3.662 12.660 ( -1.663 0.000 8.429) 8.592 12.728 ( -0.805 0.000 0.834) 1.159 12.739 ( 0.408 0.000 -5.872) 5.886 12.944 ( 4.452 0.000 -5.039) 6.724 12.947 ( -9.560 0.000 2.526) 9.888 12.987 ( -3.046 0.000 1.326) 3.322 13.102 ( 4.825 0.000 0.543) 4.856 13.149 ( -3.303 0.000 2.544) 4.169 13.185 ( 4.066 0.000 -0.436) 4.089 13.267 ( 2.027 0.000 0.625) 2.122 13.512 ( -4.175 0.000 -2.394) 4.813 13.598 ( 1.937 0.000 -1.634) 2.534 13.611 ( -4.474 0.000 -0.139) 4.476 13.702 ( 4.283 0.000 0.618) 4.328 13.804 ( -7.402 0.000 -0.633) 7.429 14.104 ( 7.212 0.000 1.633) 7.394 14.174 ( -0.093 0.000 -4.187) 4.188 14.228 ( 6.314 0.000 0.574) 6.340 14.381 ( 6.302 0.000 -6.718) 9.211 14.404 ( 1.891 0.000 -0.087) 1.893 14.434 ( -3.607 0.000 -4.593) 5.841 14.672 ( -4.392 0.000 4.900) 6.580 14.846 ( -2.637 0.000 2.310) 3.506 15.076 ( 1.199 0.000 4.452) 4.611 15.137 ( -4.597 0.000 -5.941) 7.512 15.319 ( 0.508 0.000 -1.536) 1.618 15.353 ( -0.137 0.000 -1.257) 1.265 15.469 ( 0.004 0.000 2.274) 2.274 15.549 ( -2.290 0.000 -0.084) 2.292 15.663 ( -7.812 0.000 9.707) 12.460 15.917 ( -3.500 0.000 2.640) 4.385 15.994 ( -3.006 0.000 -4.002) 5.005 16.144 ( 0.507 0.000 3.459) 3.496 16.361 ( -5.534 0.000 -1.289) 5.682 16.398 ( 5.706 0.000 2.086) 6.075 16.499 ( 5.592 0.000 0.257) 5.598 16.715 ( 8.124 0.000 -4.343) 9.212 16.763 ( 5.789 0.000 -0.543) 5.814 16.797 ( 6.075 0.000 0.670) 6.112 19.090 ( 3.652 0.000 -2.468) 4.408 19.188 ( 1.721 0.000 -1.671) 2.399 19.526 ( -1.335 0.000 3.546) 3.789 19.656 ( -1.350 0.000 -2.955) 3.249 20.846 ( 2.122 0.000 2.555) 3.321 20.945 ( 1.752 0.000 -2.264) 2.863 21.183 ( -3.155 0.000 1.809) 3.637 21.342 ( -4.829 0.000 -1.691) 5.116 25.011 ( -0.228 0.000 1.917) 1.931 25.107 ( -3.709 0.000 0.654) 3.766 25.411 ( -0.377 0.000 1.938) 1.974 25.465 ( 5.246 0.000 7.679) 9.300 25.857 ( -0.482 0.000 -1.786) 1.850 25.923 ( -0.078 0.000 -3.996) 3.997 26.128 ( 0.233 0.000 2.471) 2.482 26.148 ( -1.173 0.000 1.407) 1.832 26.705 ( 0.561 0.000 -1.177) 1.304 26.890 ( 10.061 0.000 -4.360) 10.965 26.987 ( 1.022 0.000 7.537) 7.606 27.031 ( 4.098 0.000 0.289) 4.108 27.045 ( 3.366 0.000 -2.095) 3.965 27.249 ( 1.468 0.000 -0.947) 1.747 27.338 ( -6.608 0.000 3.626) 7.538 27.427 ( 0.224 0.000 0.315) 0.387 27.473 ( -0.981 0.000 -4.112) 4.228 27.506 ( 2.290 0.000 -0.522) 2.349 27.875 ( 0.944 0.000 4.459) 4.557 27.963 ( -4.535 0.000 -7.837) 9.054 28.038 ( -3.312 0.000 -0.790) 3.405 28.131 ( 1.748 0.000 0.148) 1.754 28.250 ( -0.908 0.000 0.200) 0.930 28.440 ( -1.951 0.000 -1.203) 2.292 28.494 ( -3.888 0.000 0.179) 3.893 28.553 ( 1.545 0.000 1.266) 1.997 28.688 ( -9.520 0.000 7.472) 12.102 28.866 ( -8.338 0.000 0.126) 8.339 28.944 ( -2.056 0.000 5.943) 6.289 29.169 ( -12.772 0.000 -1.764) 12.893 29.370 ( -3.730 0.000 -3.562) 5.158 29.430 ( 5.186 0.000 -3.757) 6.404 29.641 ( 2.731 0.000 3.449) 4.400 29.891 ( -4.864 0.000 3.657) 6.085 30.008 ( 1.885 0.000 2.707) 3.299 30.291 ( 4.887 0.000 -3.362) 5.932 30.490 ( -7.518 0.000 -5.343) 9.223 30.768 ( 14.635 0.000 0.395) 14.641 30.834 ( -4.335 0.000 1.391) 4.553 31.333 ( 17.079 0.000 -11.733) 20.720 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 10.358 0.000 9.708) 14.196 1.265 ( 12.491 0.000 14.713) 19.300 1.841 ( -12.014 0.000 -30.182) 32.485 1.990 ( 7.484 0.000 -15.461) 17.177 2.037 ( -4.732 0.000 -13.242) 14.062 2.182 ( -5.764 0.000 -4.295) 7.189 2.233 ( -15.361 0.000 -1.541) 15.438 2.307 ( -4.728 0.000 -10.096) 11.148 2.485 ( 5.991 0.000 -5.592) 8.196 2.610 ( -0.571 0.000 3.749) 3.792 2.657 ( -4.373 0.000 -3.858) 5.832 2.768 ( 3.311 0.000 3.954) 5.158 2.803 ( 1.054 0.000 4.441) 4.564 2.867 ( -3.423 0.000 -2.444) 4.206 2.916 ( -2.668 0.000 4.945) 5.619 2.927 ( 2.345 0.000 5.569) 6.043 2.988 ( 3.517 0.000 4.350) 5.594 3.009 ( 8.264 0.000 14.016) 16.271 3.153 ( -0.820 0.000 10.022) 10.055 3.232 ( 4.113 0.000 -1.303) 4.314 3.334 ( 10.790 0.000 -3.311) 11.286 3.350 ( -0.446 0.000 1.651) 1.710 3.622 ( -1.174 0.000 7.271) 7.365 3.641 ( -2.928 0.000 -1.326) 3.214 3.724 ( 5.224 0.000 -3.378) 6.221 3.822 ( 0.075 0.000 4.747) 4.748 3.885 ( -6.146 0.000 -2.377) 6.590 3.954 ( 2.193 0.000 -15.182) 15.339 4.028 ( 6.307 0.000 0.016) 6.307 4.061 ( 4.446 0.000 2.688) 5.196 4.094 ( 4.333 0.000 -2.862) 5.193 4.173 ( -1.401 0.000 -5.099) 5.288 4.335 ( 6.341 0.000 8.921) 10.944 4.367 ( -0.094 0.000 5.468) 5.468 4.460 ( -3.900 0.000 -2.163) 4.459 4.501 ( 1.776 0.000 1.267) 2.181 4.564 ( 3.086 0.000 0.286) 3.099 4.713 ( -4.299 0.000 -1.527) 4.562 4.738 ( -5.405 0.000 0.957) 5.489 4.781 ( -2.180 0.000 4.898) 5.361 4.839 ( -1.719 0.000 -0.385) 1.761 4.897 ( -0.612 0.000 -4.672) 4.711 4.975 ( -4.291 0.000 -1.705) 4.617 5.042 ( 1.272 0.000 5.677) 5.817 5.052 ( 1.140 0.000 -0.993) 1.512 5.175 ( 4.632 0.000 -2.498) 5.263 5.194 ( -1.907 0.000 3.597) 4.071 5.264 ( -1.740 0.000 -1.668) 2.410 5.313 ( 2.739 0.000 -2.541) 3.736 5.479 ( -4.123 0.000 -0.205) 4.128 5.531 ( 3.798 0.000 -4.321) 5.752 5.602 ( -2.618 0.000 5.222) 5.842 5.718 ( -7.459 0.000 0.108) 7.460 5.770 ( -1.554 0.000 -2.594) 3.024 5.873 ( -4.231 0.000 4.488) 6.168 5.886 ( -1.256 0.000 -2.979) 3.233 6.030 ( 4.301 0.000 -6.434) 7.739 6.046 ( 0.140 0.000 -0.447) 0.468 6.187 ( -1.036 0.000 0.427) 1.121 6.210 ( 1.570 0.000 4.028) 4.324 6.303 ( 0.671 0.000 1.193) 1.368 6.358 ( 0.950 0.000 1.864) 2.092 6.448 ( -5.509 0.000 0.017) 5.509 6.529 ( 0.865 0.000 1.735) 1.939 6.727 ( -3.558 0.000 2.596) 4.405 6.766 ( -7.856 0.000 -2.138) 8.142 7.039 ( -2.060 0.000 -2.223) 3.031 7.085 ( 0.098 0.000 1.235) 1.239 7.156 ( 1.232 0.000 2.578) 2.858 7.215 ( 3.628 0.000 -2.210) 4.248 7.393 ( -1.642 0.000 -3.848) 4.184 7.634 ( 3.430 0.000 -10.781) 11.313 7.671 ( -0.014 0.000 7.680) 7.680 7.727 ( 0.661 0.000 1.430) 1.575 7.838 ( 0.494 0.000 2.658) 2.703 7.884 ( 1.804 0.000 1.921) 2.635 8.201 ( -6.408 0.000 -0.282) 6.414 8.308 ( -10.213 0.000 -0.906) 10.253 8.319 ( -6.349 0.000 -1.326) 6.486 8.350 ( -2.696 0.000 -4.672) 5.394 8.535 ( -1.989 0.000 8.699) 8.924 8.581 ( 0.337 0.000 -5.024) 5.035 8.785 ( -3.797 0.000 -7.414) 8.330 8.786 ( 1.016 0.000 1.189) 1.565 8.816 ( 3.322 0.000 -1.853) 3.804 8.903 ( -3.832 0.000 -2.003) 4.324 9.037 ( -2.128 0.000 3.141) 3.795 9.077 ( -3.104 0.000 3.597) 4.751 9.227 ( 5.151 0.000 -0.308) 5.160 9.243 ( 0.557 0.000 0.925) 1.080 9.517 ( -2.517 0.000 1.038) 2.723 9.582 ( 5.308 0.000 4.008) 6.651 9.619 ( -0.210 0.000 0.695) 0.726 9.722 ( 5.034 0.000 -2.215) 5.500 9.922 ( 1.515 0.000 -0.253) 1.536 9.972 ( -0.687 0.000 -3.656) 3.720 10.019 ( -0.961 0.000 -7.816) 7.875 10.156 ( 6.208 0.000 -1.357) 6.354 10.197 ( -2.925 0.000 2.016) 3.552 10.321 ( -0.329 0.000 1.882) 1.911 10.705 ( -5.202 0.000 3.755) 6.415 10.744 ( 2.300 0.000 -2.028) 3.066 10.858 ( -4.358 0.000 -7.817) 8.950 10.921 ( 0.710 0.000 4.779) 4.831 11.013 ( -2.384 0.000 -5.676) 6.156 11.018 ( 3.365 0.000 4.795) 5.858 11.080 ( -5.739 0.000 -2.512) 6.265 11.280 ( 2.591 0.000 5.809) 6.360 11.925 ( 1.421 0.000 0.631) 1.555 12.037 ( -2.067 0.000 1.030) 2.309 12.052 ( 1.289 0.000 0.817) 1.526 12.147 ( -1.737 0.000 1.973) 2.629 12.317 ( 1.617 0.000 0.288) 1.642 12.319 ( 2.704 0.000 1.247) 2.977 12.419 ( 1.923 0.000 -1.292) 2.317 12.470 ( 4.455 0.000 0.106) 4.456 12.478 ( 0.350 0.000 3.401) 3.419 12.685 ( -4.059 0.000 5.277) 6.658 12.750 ( 3.597 0.000 2.032) 4.131 12.753 ( 2.170 0.000 -0.997) 2.388 12.808 ( -8.747 0.000 1.313) 8.845 12.953 ( -1.609 0.000 1.167) 1.987 12.967 ( 2.153 0.000 -3.441) 4.059 13.097 ( -2.807 0.000 1.515) 3.190 13.202 ( -2.916 0.000 2.321) 3.727 13.208 ( 2.567 0.000 -0.108) 2.569 13.340 ( -5.725 0.000 -1.880) 6.026 13.367 ( 7.849 0.000 1.160) 7.935 13.584 ( -0.272 0.000 -0.485) 0.556 13.612 ( 1.557 0.000 -2.743) 3.154 13.741 ( -0.641 0.000 0.569) 0.856 13.746 ( 2.207 0.000 -3.296) 3.967 13.978 ( -8.715 0.000 -7.982) 11.818 14.106 ( -6.790 0.000 -2.193) 7.135 14.315 ( 2.560 0.000 -1.381) 2.908 14.426 ( 5.494 0.000 1.942) 5.827 14.433 ( -1.959 0.000 1.670) 2.574 14.499 ( 8.990 0.000 -3.234) 9.554 14.690 ( 3.948 0.000 0.724) 4.014 14.785 ( -6.318 0.000 1.775) 6.562 15.030 ( -1.620 0.000 -3.153) 3.545 15.147 ( 0.959 0.000 5.319) 5.405 15.338 ( 1.991 0.000 1.286) 2.370 15.363 ( 0.885 0.000 1.410) 1.665 15.484 ( -1.129 0.000 1.898) 2.209 15.493 ( -2.982 0.000 -0.948) 3.129 15.663 ( -3.466 0.000 7.216) 8.005 15.866 ( -4.219 0.000 1.019) 4.340 15.934 ( -0.382 0.000 -1.226) 1.284 16.238 ( 4.366 0.000 4.067) 5.967 16.248 ( -5.244 0.000 -2.770) 5.931 16.451 ( -0.267 0.000 0.269) 0.379 16.627 ( 6.222 0.000 3.102) 6.952 16.806 ( 8.305 0.000 -6.349) 10.454 16.842 ( 4.023 0.000 -1.186) 4.195 16.912 ( 6.306 0.000 0.563) 6.331 19.116 ( 2.064 0.000 -1.272) 2.425 19.233 ( 3.047 0.000 1.946) 3.616 19.523 ( -3.101 0.000 3.400) 4.602 19.596 ( -1.430 0.000 -3.686) 3.953 20.918 ( 2.657 0.000 2.933) 3.957 20.951 ( 1.925 0.000 -3.288) 3.810 21.133 ( -3.949 0.000 1.366) 4.178 21.236 ( -5.177 0.000 -1.474) 5.383 25.027 ( -0.303 0.000 1.969) 1.992 25.085 ( -0.229 0.000 0.071) 0.240 25.429 ( 0.778 0.000 0.170) 0.796 25.622 ( 3.884 0.000 5.977) 7.128 25.845 ( -0.103 0.000 0.179) 0.206 25.895 ( 0.362 0.000 -1.963) 1.996 26.133 ( -1.309 0.000 0.178) 1.321 26.146 ( -0.578 0.000 1.679) 1.776 26.654 ( 0.255 0.000 -6.602) 6.607 26.906 ( 2.620 0.000 -8.419) 8.818 27.098 ( 2.558 0.000 -2.263) 3.415 27.114 ( 5.566 0.000 0.542) 5.592 27.202 ( 8.421 0.000 13.722) 16.100 27.267 ( -3.087 0.000 6.886) 7.547 27.374 ( 6.571 0.000 3.529) 7.459 27.422 ( 0.042 0.000 -3.710) 3.710 27.434 ( -1.152 0.000 1.770) 2.112 27.523 ( -0.209 0.000 -0.683) 0.714 27.804 ( -3.353 0.000 -8.596) 9.227 27.937 ( 1.715 0.000 3.923) 4.282 27.977 ( -3.181 0.000 -0.312) 3.196 28.143 ( -0.923 0.000 -1.973) 2.179 28.225 ( -0.145 0.000 -0.953) 0.964 28.396 ( -1.367 0.000 -1.216) 1.830 28.434 ( -4.022 0.000 2.465) 4.717 28.565 ( -2.016 0.000 0.997) 2.249 28.643 ( -3.774 0.000 3.548) 5.180 28.709 ( -7.512 0.000 -2.292) 7.854 28.856 ( -18.418 0.000 -1.786) 18.505 28.904 ( -7.205 0.000 2.190) 7.530 29.280 ( -2.371 0.000 -2.716) 3.605 29.489 ( 5.835 0.000 -2.276) 6.263 29.781 ( 6.847 0.000 1.463) 7.002 29.841 ( -2.862 0.000 0.579) 2.920 30.052 ( -2.985 0.000 7.945) 8.487 30.258 ( -2.617 0.000 -7.305) 7.759 30.330 ( -5.246 0.000 -1.667) 5.505 30.841 ( 1.181 0.000 5.175) 5.308 31.028 ( 14.706 0.000 -1.288) 14.762 31.434 ( 8.677 0.000 -10.137) 13.344 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.868 0.000 -4.037) 10.662 1.522 ( 1.862 0.000 -5.602) 5.903 1.571 ( 9.842 0.000 6.664) 11.886 1.903 ( 2.157 0.000 -4.323) 4.831 1.904 ( -3.194 0.000 -2.487) 4.048 1.995 ( -13.108 0.000 5.668) 14.281 2.092 ( 0.699 0.000 -2.463) 2.561 2.238 ( 14.003 0.000 -17.838) 22.678 2.479 ( -6.316 0.000 -2.785) 6.902 2.507 ( 0.006 0.000 -0.049) 0.049 2.624 ( -0.875 0.000 -2.466) 2.617 2.757 ( 0.085 0.000 -3.011) 3.012 2.779 ( -2.995 0.000 -1.367) 3.292 2.871 ( -1.856 0.000 3.951) 4.365 2.918 ( -2.088 0.000 6.842) 7.153 2.957 ( -4.149 0.000 6.477) 7.692 3.056 ( -2.934 0.000 5.194) 5.965 3.116 ( 0.998 0.000 7.721) 7.785 3.272 ( -2.788 0.000 4.403) 5.212 3.332 ( 6.140 0.000 1.373) 6.292 3.435 ( 4.261 0.000 -6.204) 7.526 3.484 ( 8.034 0.000 3.171) 8.637 3.570 ( -4.751 0.000 0.499) 4.777 3.707 ( 1.128 0.000 9.161) 9.231 3.799 ( 5.023 0.000 -1.314) 5.192 3.850 ( -4.210 0.000 3.450) 5.443 3.870 ( 10.256 0.000 -4.009) 11.011 3.916 ( 7.400 0.000 -12.176) 14.248 4.013 ( -3.172 0.000 -5.902) 6.701 4.115 ( -1.689 0.000 2.772) 3.246 4.143 ( 7.778 0.000 -7.841) 11.045 4.151 ( -0.104 0.000 1.841) 1.844 4.353 ( -1.964 0.000 -2.135) 2.901 4.373 ( -3.893 0.000 2.573) 4.667 4.458 ( -5.755 0.000 -4.315) 7.193 4.477 ( 1.507 0.000 0.841) 1.725 4.593 ( -6.295 0.000 -3.210) 7.066 4.610 ( 3.510 0.000 -3.182) 4.738 4.692 ( 0.418 0.000 4.175) 4.196 4.833 ( -3.180 0.000 6.008) 6.798 4.846 ( 1.421 0.000 2.367) 2.761 4.893 ( 3.797 0.000 -3.100) 4.902 4.919 ( -0.417 0.000 -1.931) 1.975 4.999 ( -3.166 0.000 -1.704) 3.596 5.085 ( -1.506 0.000 0.957) 1.784 5.158 ( -3.751 0.000 0.247) 3.759 5.235 ( -1.592 0.000 2.667) 3.106 5.268 ( 3.165 0.000 4.536) 5.531 5.342 ( 3.416 0.000 -5.261) 6.272 5.406 ( -3.495 0.000 1.354) 3.748 5.517 ( 0.746 0.000 -5.384) 5.435 5.609 ( -6.596 0.000 4.399) 7.929 5.622 ( -0.769 0.000 3.564) 3.646 5.739 ( 0.134 0.000 -1.008) 1.017 5.846 ( -1.205 0.000 -0.213) 1.224 5.873 ( -1.721 0.000 4.436) 4.758 5.998 ( 1.171 0.000 -6.642) 6.745 6.055 ( 2.493 0.000 -2.437) 3.486 6.206 ( 1.295 0.000 0.521) 1.396 6.271 ( 0.278 0.000 5.158) 5.165 6.306 ( -1.748 0.000 0.748) 1.901 6.358 ( -5.229 0.000 2.440) 5.770 6.389 ( 0.691 0.000 1.146) 1.338 6.544 ( -1.237 0.000 -0.219) 1.256 6.654 ( -2.180 0.000 -1.139) 2.460 6.690 ( -1.938 0.000 -0.213) 1.949 7.005 ( -0.429 0.000 0.302) 0.525 7.069 ( -0.813 0.000 0.073) 0.817 7.175 ( -1.382 0.000 2.846) 3.163 7.286 ( 2.208 0.000 -4.463) 4.979 7.344 ( 2.116 0.000 1.494) 2.590 7.534 ( -1.337 0.000 -7.266) 7.388 7.727 ( -0.167 0.000 -3.054) 3.059 7.789 ( 5.032 0.000 0.890) 5.110 7.844 ( -1.576 0.000 0.995) 1.863 7.913 ( -1.880 0.000 2.294) 2.966 8.104 ( -5.219 0.000 -0.402) 5.235 8.173 ( -5.476 0.000 2.607) 6.065 8.199 ( 0.589 0.000 -4.683) 4.720 8.316 ( -0.101 0.000 -2.122) 2.124 8.513 ( -1.641 0.000 -4.312) 4.614 8.568 ( -4.635 0.000 -0.043) 4.635 8.674 ( 0.535 0.000 3.016) 3.063 8.780 ( -2.464 0.000 2.572) 3.562 8.859 ( 3.103 0.000 -2.359) 3.898 8.876 ( 0.437 0.000 0.525) 0.683 9.063 ( -1.122 0.000 4.393) 4.534 9.073 ( -2.552 0.000 5.953) 6.477 9.254 ( -0.504 0.000 1.305) 1.399 9.332 ( 6.974 0.000 -0.818) 7.022 9.439 ( -6.476 0.000 0.595) 6.503 9.609 ( -2.036 0.000 1.277) 2.403 9.680 ( 2.545 0.000 1.421) 2.915 9.794 ( 5.168 0.000 -0.711) 5.217 9.923 ( 1.087 0.000 -5.860) 5.960 9.933 ( -1.043 0.000 -3.896) 4.034 9.943 ( 1.114 0.000 0.296) 1.153 10.197 ( -0.962 0.000 4.122) 4.233 10.263 ( 6.470 0.000 -2.879) 7.081 10.332 ( -1.018 0.000 4.154) 4.277 10.644 ( -4.056 0.000 1.066) 4.193 10.741 ( -2.062 0.000 -3.189) 3.797 10.759 ( 2.647 0.000 -3.880) 4.697 10.974 ( 1.627 0.000 -2.169) 2.712 10.982 ( -1.600 0.000 7.571) 7.738 11.012 ( -0.962 0.000 1.362) 1.668 11.115 ( 3.930 0.000 1.550) 4.225 11.323 ( -2.937 0.000 2.559) 3.896 11.936 ( -0.146 0.000 -0.411) 0.436 12.038 ( -0.724 0.000 -1.293) 1.482 12.044 ( 1.707 0.000 0.601) 1.810 12.177 ( 1.273 0.000 -0.143) 1.282 12.330 ( 0.002 0.000 -2.003) 2.003 12.374 ( 2.693 0.000 -1.206) 2.951 12.382 ( 0.966 0.000 -5.173) 5.262 12.499 ( 1.772 0.000 -4.123) 4.487 12.514 ( -1.287 0.000 -0.233) 1.308 12.642 ( -5.356 0.000 -4.211) 6.813 12.675 ( -6.241 0.000 5.042) 8.023 12.766 ( 1.024 0.000 -0.282) 1.062 12.868 ( 3.774 0.000 6.475) 7.495 12.957 ( -0.207 0.000 2.069) 2.080 12.963 ( -0.462 0.000 0.373) 0.594 13.065 ( -2.012 0.000 -0.558) 2.088 13.144 ( -0.267 0.000 -2.921) 2.933 13.145 ( -5.139 0.000 0.548) 5.169 13.406 ( 4.381 0.000 5.255) 6.842 13.522 ( 4.586 0.000 -0.030) 4.586 13.578 ( 0.863 0.000 -0.101) 0.869 13.592 ( 0.694 0.000 1.020) 1.234 13.712 ( -0.056 0.000 -3.744) 3.744 13.774 ( 3.190 0.000 1.356) 3.467 13.855 ( -0.068 0.000 -1.967) 1.969 13.953 ( -7.940 0.000 0.705) 7.971 14.248 ( -2.556 0.000 -9.738) 10.068 14.383 ( -3.174 0.000 -0.982) 3.323 14.559 ( 4.329 0.000 -6.939) 8.179 14.593 ( 7.243 0.000 5.781) 9.267 14.676 ( -7.952 0.000 1.164) 8.037 14.800 ( 4.657 0.000 3.368) 5.747 15.017 ( 0.636 0.000 1.288) 1.436 15.207 ( 1.438 0.000 2.286) 2.701 15.384 ( 0.425 0.000 2.020) 2.065 15.403 ( 1.202 0.000 1.983) 2.319 15.438 ( -1.985 0.000 -0.914) 2.185 15.465 ( -4.080 0.000 2.656) 4.869 15.679 ( -1.346 0.000 4.605) 4.798 15.803 ( -2.890 0.000 -1.337) 3.184 15.955 ( 0.711 0.000 3.949) 4.013 16.145 ( -2.641 0.000 -2.726) 3.795 16.323 ( 2.469 0.000 -0.623) 2.546 16.415 ( -2.283 0.000 -1.801) 2.908 16.742 ( 2.535 0.000 3.587) 4.393 16.864 ( 6.545 0.000 -7.556) 9.997 16.888 ( 1.707 0.000 1.770) 2.459 17.013 ( 4.219 0.000 1.066) 4.351 19.144 ( 1.697 0.000 0.454) 1.757 19.293 ( 0.291 0.000 1.747) 1.771 19.492 ( -3.755 0.000 2.822) 4.697 19.555 ( 0.495 0.000 -1.430) 1.513 20.948 ( 2.243 0.000 -3.561) 4.208 20.975 ( 0.073 0.000 2.415) 2.416 21.097 ( -2.303 0.000 2.632) 3.498 21.156 ( -2.140 0.000 -0.663) 2.240 25.035 ( -0.634 0.000 1.167) 1.328 25.084 ( 0.192 0.000 -0.637) 0.666 25.436 ( 0.731 0.000 -1.320) 1.509 25.681 ( -0.598 0.000 -0.655) 0.887 25.854 ( 0.144 0.000 1.510) 1.516 25.900 ( 0.757 0.000 1.146) 1.374 26.112 ( -0.763 0.000 -0.728) 1.054 26.141 ( -1.292 0.000 0.632) 1.438 26.624 ( 2.826 0.000 -4.237) 5.093 26.858 ( 2.899 0.000 -9.920) 10.335 27.100 ( 1.407 0.000 -2.227) 2.634 27.194 ( 3.387 0.000 -1.077) 3.554 27.301 ( -1.714 0.000 7.066) 7.271 27.372 ( -1.448 0.000 2.980) 3.313 27.410 ( -3.937 0.000 2.113) 4.468 27.472 ( 1.095 0.000 -0.331) 1.144 27.511 ( 2.158 0.000 2.323) 3.171 27.536 ( 6.113 0.000 6.445) 8.883 27.729 ( 3.432 0.000 -2.320) 4.143 27.936 ( -1.662 0.000 1.347) 2.139 27.979 ( 1.185 0.000 -2.300) 2.587 28.077 ( -2.162 0.000 -1.507) 2.635 28.241 ( 2.019 0.000 -0.125) 2.023 28.359 ( -0.998 0.000 -2.783) 2.956 28.423 ( -0.430 0.000 3.035) 3.066 28.499 ( -4.317 0.000 -1.076) 4.449 28.582 ( -13.092 0.000 3.320) 13.507 28.604 ( -3.494 0.000 0.191) 3.499 28.615 ( -1.392 0.000 -0.552) 1.498 28.804 ( -5.932 0.000 4.470) 7.428 29.226 ( -0.801 0.000 -3.636) 3.723 29.580 ( 5.547 0.000 0.109) 5.548 29.807 ( -1.217 0.000 -0.698) 1.403 29.813 ( 0.959 0.000 -8.839) 8.891 30.061 ( -5.287 0.000 8.042) 9.625 30.145 ( -1.308 0.000 -5.338) 5.496 30.318 ( -0.893 0.000 9.993) 10.033 30.914 ( 0.255 0.000 4.160) 4.168 31.209 ( 9.668 0.000 -5.592) 11.169 31.453 ( 5.292 0.000 -8.680) 10.167 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -0.242 0.000 4.448) 4.454 1.676 ( 19.935 0.000 14.043) 24.385 1.746 ( 3.752 0.000 4.410) 5.790 1.896 ( -2.581 0.000 9.438) 9.785 1.950 ( 2.603 0.000 11.836) 12.119 2.069 ( 12.745 0.000 6.923) 14.503 2.132 ( 4.056 0.000 -1.847) 4.457 2.319 ( 9.089 0.000 -11.519) 14.672 2.427 ( 1.925 0.000 1.393) 2.376 2.535 ( 6.872 0.000 -0.357) 6.881 2.625 ( 2.110 0.000 0.227) 2.123 2.708 ( -4.226 0.000 -2.640) 4.983 2.715 ( -0.948 0.000 -4.835) 4.928 2.851 ( -1.159 0.000 0.946) 1.496 2.951 ( -4.321 0.000 5.960) 7.361 2.982 ( -0.935 0.000 11.178) 11.217 3.033 ( -7.333 0.000 6.135) 9.560 3.153 ( -4.253 0.000 4.365) 6.094 3.239 ( -5.540 0.000 1.969) 5.880 3.355 ( -2.805 0.000 -6.787) 7.344 3.438 ( 3.415 0.000 -0.316) 3.429 3.561 ( 1.767 0.000 4.981) 5.285 3.581 ( -3.777 0.000 -2.614) 4.593 3.657 ( -11.965 0.000 4.610) 12.823 3.725 ( -5.821 0.000 -3.843) 6.975 3.815 ( -1.595 0.000 -7.219) 7.393 3.946 ( 2.109 0.000 -5.331) 5.733 3.947 ( 0.999 0.000 -0.697) 1.218 3.984 ( 4.880 0.000 -1.896) 5.235 4.093 ( 3.885 0.000 -5.284) 6.559 4.137 ( -0.709 0.000 -0.117) 0.719 4.226 ( 8.884 0.000 -9.265) 12.836 4.322 ( -4.086 0.000 -0.002) 4.086 4.345 ( 2.763 0.000 -1.285) 3.047 4.386 ( 4.827 0.000 -0.252) 4.833 4.424 ( -3.444 0.000 -6.196) 7.089 4.492 ( -2.194 0.000 -1.006) 2.414 4.613 ( 2.168 0.000 -6.699) 7.041 4.682 ( -4.626 0.000 -0.181) 4.629 4.790 ( -7.266 0.000 1.962) 7.526 4.823 ( -0.870 0.000 -2.595) 2.737 4.911 ( 2.824 0.000 -3.272) 4.322 4.953 ( 0.731 0.000 2.837) 2.930 4.979 ( 2.891 0.000 0.408) 2.919 5.053 ( -3.295 0.000 -1.940) 3.824 5.146 ( 2.789 0.000 5.391) 6.070 5.255 ( -2.854 0.000 -1.229) 3.107 5.276 ( 2.345 0.000 3.857) 4.514 5.384 ( 2.233 0.000 -4.254) 4.804 5.399 ( -0.709 0.000 4.038) 4.100 5.492 ( 1.358 0.000 -0.777) 1.564 5.592 ( -1.382 0.000 4.699) 4.898 5.618 ( -1.228 0.000 -0.272) 1.258 5.695 ( -2.717 0.000 -4.668) 5.401 5.874 ( 2.493 0.000 5.156) 5.727 5.887 ( 0.157 0.000 1.627) 1.634 6.006 ( 2.665 0.000 1.566) 3.091 6.067 ( 2.214 0.000 -3.905) 4.489 6.226 ( 1.402 0.000 -1.058) 1.756 6.248 ( -6.010 0.000 1.563) 6.210 6.329 ( 0.255 0.000 3.997) 4.005 6.331 ( -0.650 0.000 -0.178) 0.674 6.396 ( -1.692 0.000 3.646) 4.019 6.473 ( -2.201 0.000 -5.187) 5.635 6.662 ( 1.067 0.000 1.806) 2.098 6.668 ( -0.011 0.000 0.111) 0.112 7.034 ( 2.062 0.000 2.366) 3.138 7.068 ( -0.719 0.000 0.105) 0.727 7.188 ( -0.833 0.000 3.804) 3.894 7.254 ( 2.387 0.000 -3.611) 4.329 7.427 ( 1.005 0.000 3.644) 3.780 7.452 ( 0.119 0.000 -6.959) 6.960 7.672 ( 0.924 0.000 -6.884) 6.946 7.765 ( -2.995 0.000 -4.643) 5.525 7.868 ( -3.885 0.000 0.397) 3.906 7.902 ( 5.127 0.000 1.257) 5.279 8.029 ( -2.112 0.000 -1.708) 2.716 8.153 ( -1.753 0.000 4.225) 4.574 8.230 ( 5.941 0.000 -5.214) 7.905 8.324 ( 3.493 0.000 0.182) 3.498 8.451 ( -4.246 0.000 -2.841) 5.109 8.481 ( 1.229 0.000 -0.365) 1.282 8.787 ( 2.597 0.000 6.575) 7.069 8.789 ( 0.184 0.000 2.507) 2.514 8.880 ( 2.090 0.000 -0.526) 2.155 8.886 ( -0.373 0.000 1.501) 1.547 9.047 ( -4.563 0.000 2.112) 5.028 9.105 ( -1.913 0.000 7.385) 7.629 9.263 ( -0.555 0.000 2.736) 2.792 9.332 ( -5.270 0.000 -0.182) 5.273 9.427 ( 4.697 0.000 -1.265) 4.865 9.578 ( -2.548 0.000 0.405) 2.580 9.691 ( -1.545 0.000 -0.339) 1.582 9.872 ( 5.384 0.000 -3.189) 6.257 9.890 ( 0.312 0.000 -2.157) 2.180 9.945 ( 5.075 0.000 0.103) 5.076 9.976 ( 0.584 0.000 2.382) 2.453 10.244 ( 0.052 0.000 6.608) 6.608 10.262 ( -1.679 0.000 -2.869) 3.325 10.371 ( -0.705 0.000 2.773) 2.861 10.608 ( -1.134 0.000 -0.207) 1.153 10.754 ( 1.951 0.000 -4.939) 5.310 10.762 ( 4.799 0.000 3.460) 5.916 10.988 ( -6.012 0.000 6.024) 8.511 10.997 ( 2.294 0.000 2.145) 3.141 11.081 ( 3.519 0.000 5.168) 6.253 11.159 ( -0.015 0.000 -1.929) 1.929 11.240 ( -5.904 0.000 -1.800) 6.172 11.929 ( 0.317 0.000 -0.632) 0.707 12.016 ( 0.471 0.000 -2.560) 2.603 12.072 ( -0.311 0.000 0.823) 0.880 12.133 ( -2.768 0.000 -4.482) 5.268 12.316 ( 1.264 0.000 -1.385) 1.874 12.365 ( 0.245 0.000 -6.065) 6.070 12.372 ( 3.959 0.000 -5.964) 7.158 12.442 ( -2.803 0.000 -4.019) 4.900 12.452 ( -5.795 0.000 -5.702) 8.130 12.483 ( -0.046 0.000 -6.984) 6.984 12.660 ( -2.621 0.000 5.822) 6.385 12.792 ( -0.555 0.000 1.979) 2.055 12.940 ( -1.456 0.000 -1.190) 1.880 12.959 ( -3.773 0.000 7.142) 8.078 13.001 ( 5.963 0.000 0.337) 5.973 13.061 ( -3.515 0.000 -1.038) 3.665 13.063 ( 2.581 0.000 1.880) 3.193 13.170 ( 3.601 0.000 -0.929) 3.719 13.456 ( -2.618 0.000 -2.875) 3.888 13.511 ( -0.274 0.000 7.688) 7.693 13.591 ( -2.441 0.000 0.169) 2.447 13.668 ( -0.215 0.000 0.415) 0.467 13.793 ( 8.381 0.000 5.895) 10.247 13.829 ( -2.781 0.000 2.532) 3.761 13.866 ( 2.610 0.000 0.858) 2.748 13.932 ( 4.214 0.000 6.200) 7.497 14.089 ( 0.373 0.000 -14.478) 14.483 14.322 ( -1.111 0.000 -3.647) 3.813 14.530 ( -6.335 0.000 -3.668) 7.320 14.530 ( 1.994 0.000 -8.654) 8.881 14.760 ( 3.266 0.000 6.777) 7.523 14.882 ( 1.107 0.000 2.833) 3.041 15.071 ( 1.796 0.000 5.811) 6.082 15.228 ( -2.065 0.000 1.069) 2.325 15.383 ( -3.345 0.000 -0.904) 3.465 15.383 ( -2.723 0.000 -1.059) 2.921 15.393 ( -1.563 0.000 1.431) 2.119 15.460 ( 1.101 0.000 2.589) 2.814 15.719 ( 1.314 0.000 3.882) 4.098 15.742 ( -0.582 0.000 -4.555) 4.592 16.020 ( -0.106 0.000 7.602) 7.603 16.127 ( 1.379 0.000 0.637) 1.519 16.277 ( -3.555 0.000 -3.973) 5.332 16.394 ( 1.473 0.000 -2.209) 2.655 16.759 ( -3.324 0.000 0.908) 3.446 16.881 ( 3.765 0.000 -6.665) 7.655 16.949 ( 1.399 0.000 4.085) 4.318 17.063 ( 0.243 0.000 0.709) 0.750 19.181 ( 1.229 0.000 1.874) 2.242 19.269 ( -2.249 0.000 -1.391) 2.644 19.465 ( -2.157 0.000 2.512) 3.311 19.585 ( 2.165 0.000 1.339) 2.546 20.958 ( -2.682 0.000 -0.142) 2.686 20.973 ( 3.858 0.000 -1.870) 4.287 21.100 ( -1.593 0.000 3.839) 4.156 21.156 ( 0.866 0.000 1.317) 1.576 25.031 ( -0.766 0.000 0.590) 0.967 25.073 ( -0.482 0.000 -1.298) 1.385 25.431 ( 0.511 0.000 -1.605) 1.684 25.603 ( -3.249 0.000 -6.733) 7.476 25.880 ( 0.138 0.000 3.004) 3.008 25.941 ( 0.999 0.000 3.691) 3.824 26.092 ( -0.225 0.000 -1.641) 1.656 26.120 ( -0.984 0.000 -0.707) 1.211 26.651 ( 3.209 0.000 -1.847) 3.702 26.814 ( 3.819 0.000 -10.101) 10.799 27.116 ( 2.256 0.000 -0.775) 2.385 27.174 ( -2.834 0.000 -4.927) 5.684 27.329 ( -2.939 0.000 5.105) 5.891 27.360 ( -3.353 0.000 2.127) 3.971 27.375 ( -1.968 0.000 2.384) 3.091 27.458 ( 0.706 0.000 -0.694) 0.990 27.481 ( -3.028 0.000 -2.040) 3.651 27.608 ( -3.717 0.000 2.646) 4.562 27.855 ( 6.193 0.000 5.094) 8.019 27.919 ( -2.298 0.000 -7.002) 7.370 27.955 ( 0.382 0.000 4.474) 4.490 28.128 ( 4.098 0.000 5.468) 6.833 28.260 ( -0.649 0.000 -1.382) 1.527 28.321 ( -0.071 0.000 -1.835) 1.836 28.444 ( -2.176 0.000 2.990) 3.697 28.453 ( 1.521 0.000 -1.162) 1.914 28.499 ( -0.336 0.000 4.647) 4.659 28.537 ( -0.445 0.000 -4.206) 4.229 28.649 ( 2.220 0.000 5.041) 5.509 28.825 ( -0.137 0.000 8.832) 8.833 29.174 ( 0.747 0.000 -6.220) 6.265 29.647 ( 2.603 0.000 -2.630) 3.700 29.698 ( -1.836 0.000 -9.537) 9.712 29.783 ( -0.430 0.000 -1.178) 1.254 30.035 ( -5.588 0.000 5.629) 7.931 30.153 ( 6.020 0.000 0.723) 6.064 30.442 ( -0.349 0.000 14.324) 14.328 30.904 ( -4.731 0.000 1.411) 4.937 31.223 ( 0.936 0.000 -9.568) 9.614 31.467 ( 6.095 0.000 -8.031) 10.082 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -21.323 0.000 3.914) 21.679 1.695 ( -18.451 0.000 6.513) 19.566 2.031 ( 0.801 0.000 -4.980) 5.044 2.087 ( 10.783 0.000 4.391) 11.643 2.155 ( 12.868 0.000 7.767) 15.031 2.270 ( 7.250 0.000 9.065) 11.608 2.335 ( 7.049 0.000 -2.436) 7.458 2.347 ( 4.749 0.000 -7.030) 8.484 2.563 ( 3.048 0.000 -0.569) 3.100 2.589 ( 3.792 0.000 8.896) 9.671 2.605 ( -3.262 0.000 -9.299) 9.855 2.690 ( 2.660 0.000 1.891) 3.263 2.709 ( 10.366 0.000 -4.415) 11.268 2.787 ( -16.494 0.000 -5.268) 17.315 2.859 ( -5.813 0.000 -3.354) 6.711 2.951 ( -7.105 0.000 5.562) 9.023 3.028 ( -9.863 0.000 6.968) 12.076 3.080 ( -9.339 0.000 6.575) 11.422 3.123 ( 1.643 0.000 2.580) 3.058 3.234 ( -3.154 0.000 -3.585) 4.776 3.313 ( -9.127 0.000 -2.388) 9.434 3.456 ( -0.785 0.000 0.623) 1.002 3.474 ( -12.718 0.000 -1.771) 12.840 3.633 ( -4.618 0.000 1.814) 4.962 3.765 ( 5.943 0.000 2.687) 6.522 3.781 ( 4.611 0.000 6.170) 7.702 3.920 ( -3.006 0.000 1.173) 3.227 3.929 ( 1.610 0.000 -6.456) 6.654 4.002 ( 0.909 0.000 3.614) 3.726 4.113 ( -0.777 0.000 -7.299) 7.340 4.124 ( 4.050 0.000 -5.590) 6.903 4.144 ( -3.189 0.000 -8.272) 8.866 4.267 ( 0.009 0.000 -10.428) 10.428 4.334 ( 2.019 0.000 1.834) 2.728 4.482 ( 4.164 0.000 3.790) 5.631 4.505 ( 6.525 0.000 -1.125) 6.621 4.506 ( 6.755 0.000 -1.632) 6.949 4.566 ( 3.781 0.000 -9.010) 9.772 4.593 ( -3.363 0.000 -0.626) 3.421 4.655 ( -5.975 0.000 -0.759) 6.023 4.850 ( 3.288 0.000 3.762) 4.996 4.966 ( -3.754 0.000 1.728) 4.133 4.967 ( 4.605 0.000 -0.536) 4.636 4.977 ( 0.007 0.000 -2.891) 2.891 5.089 ( 7.279 0.000 2.227) 7.612 5.218 ( -0.148 0.000 -0.473) 0.496 5.268 ( 0.325 0.000 10.341) 10.346 5.334 ( -1.477 0.000 -2.669) 3.051 5.377 ( 3.489 0.000 5.565) 6.569 5.458 ( 3.749 0.000 2.175) 4.334 5.488 ( -0.775 0.000 -0.620) 0.993 5.583 ( -0.274 0.000 -6.147) 6.153 5.628 ( 1.430 0.000 -3.439) 3.725 5.656 ( 4.684 0.000 2.590) 5.352 5.910 ( 0.411 0.000 1.336) 1.398 6.012 ( 3.463 0.000 8.719) 9.382 6.047 ( 0.997 0.000 -5.168) 5.263 6.089 ( 3.174 0.000 4.471) 5.483 6.125 ( -8.179 0.000 -0.947) 8.234 6.219 ( -0.602 0.000 -4.304) 4.345 6.267 ( -2.859 0.000 -0.142) 2.862 6.351 ( 0.310 0.000 0.388) 0.497 6.411 ( -0.548 0.000 -2.240) 2.306 6.462 ( 2.095 0.000 4.669) 5.118 6.695 ( 0.950 0.000 2.409) 2.590 6.710 ( 2.932 0.000 1.074) 3.122 7.019 ( -2.168 0.000 -3.878) 4.443 7.101 ( 2.111 0.000 1.677) 2.696 7.220 ( -0.433 0.000 4.950) 4.969 7.288 ( 1.400 0.000 0.633) 1.537 7.400 ( 1.742 0.000 -6.560) 6.788 7.436 ( 0.380 0.000 -1.336) 1.389 7.651 ( -2.328 0.000 -8.003) 8.335 7.661 ( 1.838 0.000 -1.360) 2.286 7.812 ( -1.777 0.000 -1.136) 2.109 7.973 ( -0.432 0.000 -6.230) 6.245 8.013 ( 4.220 0.000 4.072) 5.865 8.190 ( 2.203 0.000 3.176) 3.865 8.272 ( 4.398 0.000 -2.688) 5.155 8.394 ( -0.789 0.000 0.215) 0.818 8.422 ( 5.916 0.000 0.522) 5.939 8.534 ( 4.567 0.000 -1.285) 4.745 8.821 ( 2.404 0.000 -0.637) 2.487 8.823 ( -0.816 0.000 1.333) 1.563 8.903 ( 0.288 0.000 2.627) 2.642 8.948 ( 3.713 0.000 -0.302) 3.726 8.981 ( -4.026 0.000 1.596) 4.331 9.122 ( -6.303 0.000 7.045) 9.453 9.275 ( -2.410 0.000 3.284) 4.073 9.289 ( -0.543 0.000 4.398) 4.431 9.476 ( 4.083 0.000 -3.562) 5.419 9.531 ( -2.436 0.000 -0.938) 2.610 9.661 ( -1.305 0.000 1.993) 2.382 9.868 ( 1.433 0.000 -3.644) 3.916 9.926 ( 2.661 0.000 -2.721) 3.806 9.991 ( -3.112 0.000 4.804) 5.724 10.072 ( 8.122 0.000 0.008) 8.122 10.175 ( -4.084 0.000 -3.954) 5.684 10.311 ( -0.834 0.000 7.004) 7.053 10.362 ( -1.885 0.000 0.605) 1.980 10.585 ( -1.540 0.000 -0.241) 1.558 10.735 ( 1.314 0.000 -4.011) 4.221 10.909 ( -6.469 0.000 0.871) 6.528 10.931 ( 7.386 0.000 7.269) 10.363 11.049 ( -7.793 0.000 -2.058) 8.060 11.109 ( 4.749 0.000 7.109) 8.550 11.133 ( -2.852 0.000 -6.124) 6.756 11.201 ( 3.622 0.000 6.172) 7.157 11.942 ( 1.983 0.000 -0.583) 2.067 12.015 ( 2.141 0.000 -3.050) 3.727 12.030 ( -6.413 0.000 1.294) 6.542 12.044 ( -2.347 0.000 -2.767) 3.629 12.249 ( -1.846 0.000 -11.095) 11.247 12.308 ( -0.187 0.000 -1.086) 1.102 12.311 ( -2.714 0.000 -4.082) 4.902 12.347 ( -2.186 0.000 -3.582) 4.196 12.446 ( 5.898 0.000 -0.406) 5.912 12.455 ( 1.889 0.000 -4.174) 4.581 12.699 ( 0.850 0.000 4.572) 4.650 12.770 ( -2.024 0.000 0.050) 2.024 12.908 ( 0.685 0.000 -2.278) 2.379 12.946 ( -4.638 0.000 5.702) 7.350 13.017 ( -1.654 0.000 0.927) 1.896 13.102 ( 5.494 0.000 -0.722) 5.541 13.177 ( 3.094 0.000 0.793) 3.194 13.221 ( 5.422 0.000 2.645) 6.033 13.393 ( -3.213 0.000 -0.414) 3.239 13.483 ( -8.949 0.000 2.840) 9.388 13.593 ( 0.401 0.000 4.663) 4.681 13.649 ( -1.963 0.000 -0.936) 2.175 13.717 ( -8.158 0.000 -2.791) 8.622 13.818 ( -3.076 0.000 -1.581) 3.458 14.033 ( 6.387 0.000 -11.319) 12.997 14.085 ( 9.793 0.000 7.720) 12.470 14.126 ( 8.855 0.000 6.042) 10.720 14.274 ( 1.383 0.000 -5.968) 6.127 14.417 ( -1.566 0.000 -2.988) 3.374 14.493 ( 3.618 0.000 -4.711) 5.940 14.821 ( -1.933 0.000 2.944) 3.522 14.878 ( -3.094 0.000 -1.478) 3.429 15.146 ( -6.049 0.000 1.489) 6.229 15.186 ( 1.513 0.000 8.374) 8.510 15.344 ( 1.011 0.000 -1.125) 1.513 15.379 ( 2.135 0.000 2.191) 3.059 15.391 ( -1.130 0.000 2.007) 2.303 15.496 ( 0.287 0.000 2.131) 2.150 15.702 ( 2.947 0.000 -7.009) 7.603 15.808 ( 3.638 0.000 5.876) 6.911 16.101 ( -0.713 0.000 9.925) 9.951 16.171 ( 1.755 0.000 1.813) 2.523 16.177 ( -4.244 0.000 -1.680) 4.564 16.383 ( 0.710 0.000 -4.204) 4.263 16.663 ( -6.375 0.000 -2.370) 6.801 16.865 ( 0.449 0.000 -3.343) 3.373 16.987 ( -1.830 0.000 3.045) 3.553 17.030 ( -4.025 0.000 -0.744) 4.093 19.219 ( -1.502 0.000 -1.352) 2.021 19.232 ( 1.862 0.000 3.693) 4.136 19.473 ( -0.276 0.000 2.958) 2.971 19.637 ( 2.532 0.000 0.748) 2.640 20.901 ( -2.841 0.000 -1.497) 3.211 21.034 ( 4.242 0.000 -0.291) 4.252 21.104 ( -2.463 0.000 3.262) 4.088 21.182 ( 0.840 0.000 0.080) 0.844 25.024 ( -0.861 0.000 0.896) 1.243 25.043 ( -1.236 0.000 -1.182) 1.710 25.422 ( -0.285 0.000 -0.534) 0.605 25.465 ( -3.953 0.000 -7.459) 8.441 25.917 ( -0.047 0.000 4.209) 4.209 26.003 ( 1.182 0.000 4.672) 4.819 26.071 ( 0.174 0.000 -2.497) 2.503 26.094 ( -0.574 0.000 -1.899) 1.984 26.677 ( 1.820 0.000 -2.538) 3.123 26.790 ( 5.218 0.000 -10.208) 11.464 27.018 ( -7.142 0.000 -5.822) 9.214 27.153 ( 1.066 0.000 1.372) 1.737 27.294 ( -3.978 0.000 3.055) 5.016 27.339 ( -6.102 0.000 4.763) 7.741 27.352 ( -2.047 0.000 2.370) 3.132 27.423 ( -1.818 0.000 0.760) 1.971 27.486 ( 2.367 0.000 -0.216) 2.377 27.571 ( -3.061 0.000 3.504) 4.653 27.812 ( -1.445 0.000 -6.935) 7.084 27.980 ( 3.683 0.000 2.321) 4.353 28.036 ( 1.491 0.000 7.882) 8.022 28.192 ( -0.370 0.000 -3.269) 3.289 28.230 ( -0.500 0.000 4.387) 4.415 28.299 ( -3.923 0.000 -0.991) 4.047 28.413 ( -0.325 0.000 0.965) 1.018 28.432 ( 0.056 0.000 -4.282) 4.282 28.535 ( 4.486 0.000 -4.160) 6.118 28.704 ( 13.201 0.000 3.524) 13.663 28.763 ( 3.927 0.000 8.157) 9.053 28.916 ( -0.457 0.000 6.628) 6.644 29.162 ( 5.591 0.000 -4.721) 7.318 29.539 ( 0.087 0.000 -15.383) 15.383 29.669 ( -1.854 0.000 3.988) 4.398 29.770 ( 0.152 0.000 -0.881) 0.894 29.989 ( -4.127 0.000 2.117) 4.638 30.347 ( 11.561 0.000 5.012) 12.601 30.559 ( -3.028 0.000 12.648) 13.006 30.801 ( -7.290 0.000 1.289) 7.403 31.080 ( -5.478 0.000 -9.918) 11.330 31.482 ( 5.884 0.000 -10.094) 11.684 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -26.844 0.000 8.486) 28.153 1.259 ( -33.303 0.000 -5.877) 33.818 1.849 ( -31.205 0.000 -7.062) 31.994 2.023 ( -12.527 0.000 -13.442) 18.375 2.042 ( -9.142 0.000 -7.745) 11.981 2.247 ( 6.539 0.000 -4.857) 8.146 2.344 ( -1.029 0.000 -9.749) 9.803 2.406 ( 10.027 0.000 -7.026) 12.243 2.428 ( -6.619 0.000 0.764) 6.663 2.566 ( -7.149 0.000 0.329) 7.157 2.618 ( 2.279 0.000 -2.200) 3.168 2.738 ( 4.673 0.000 -1.656) 4.957 2.751 ( 1.782 0.000 4.234) 4.594 2.834 ( 2.147 0.000 4.620) 5.095 2.837 ( 2.363 0.000 -2.272) 3.278 2.902 ( -4.627 0.000 5.952) 7.539 2.962 ( -1.916 0.000 -0.830) 2.088 3.043 ( 2.351 0.000 0.327) 2.374 3.106 ( -0.157 0.000 -4.271) 4.274 3.157 ( -6.870 0.000 -3.350) 7.644 3.255 ( -1.392 0.000 8.097) 8.216 3.357 ( -3.131 0.000 7.878) 8.478 3.468 ( -2.812 0.000 5.195) 5.907 3.600 ( 2.947 0.000 -1.943) 3.530 3.808 ( -5.015 0.000 -5.220) 7.238 3.835 ( -0.213 0.000 1.122) 1.142 3.867 ( 0.259 0.000 -6.787) 6.792 3.915 ( -0.308 0.000 4.546) 4.556 4.048 ( -0.252 0.000 2.326) 2.340 4.071 ( -1.644 0.000 3.068) 3.480 4.132 ( -0.235 0.000 1.646) 1.663 4.154 ( 5.938 0.000 7.604) 9.648 4.238 ( 4.364 0.000 -3.420) 5.545 4.395 ( 3.007 0.000 2.560) 3.949 4.477 ( 0.160 0.000 -5.884) 5.886 4.541 ( 4.776 0.000 -4.083) 6.284 4.568 ( 4.315 0.000 -3.958) 5.855 4.603 ( 0.362 0.000 -3.251) 3.271 4.626 ( 1.980 0.000 -1.982) 2.801 4.653 ( 6.057 0.000 4.911) 7.798 4.893 ( -4.680 0.000 2.432) 5.274 4.947 ( -1.466 0.000 1.678) 2.229 4.994 ( 5.526 0.000 0.968) 5.610 5.007 ( 1.756 0.000 -2.536) 3.085 5.215 ( 4.237 0.000 -1.929) 4.656 5.248 ( 4.595 0.000 0.908) 4.684 5.348 ( 1.648 0.000 6.743) 6.942 5.359 ( -0.066 0.000 8.297) 8.297 5.468 ( 0.429 0.000 -7.586) 7.598 5.493 ( 0.185 0.000 5.854) 5.857 5.525 ( 1.333 0.000 -1.823) 2.258 5.552 ( 5.663 0.000 2.686) 6.268 5.672 ( 7.553 0.000 -2.893) 8.088 5.765 ( 4.571 0.000 0.680) 4.621 5.912 ( -0.684 0.000 -0.740) 1.007 5.949 ( -6.832 0.000 -2.492) 7.272 6.024 ( 2.155 0.000 -3.576) 4.175 6.099 ( -0.658 0.000 -5.120) 5.162 6.143 ( 1.145 0.000 4.009) 4.170 6.213 ( 0.809 0.000 3.666) 3.754 6.294 ( 0.715 0.000 6.107) 6.148 6.346 ( -4.154 0.000 2.772) 4.994 6.404 ( 3.251 0.000 -2.372) 4.024 6.493 ( -1.295 0.000 0.235) 1.316 6.722 ( 0.070 0.000 0.629) 0.633 6.779 ( 5.001 0.000 -1.359) 5.182 6.969 ( 0.556 0.000 -0.248) 0.609 7.117 ( -0.194 0.000 0.367) 0.415 7.264 ( -1.696 0.000 5.895) 6.134 7.292 ( -0.908 0.000 -0.418) 1.000 7.349 ( 0.928 0.000 -14.127) 14.157 7.445 ( 3.607 0.000 -3.821) 5.254 7.562 ( 1.249 0.000 -4.185) 4.367 7.667 ( -2.977 0.000 4.041) 5.019 7.783 ( -0.463 0.000 -1.760) 1.820 7.892 ( -0.712 0.000 -6.863) 6.900 8.091 ( -1.843 0.000 6.401) 6.661 8.309 ( 7.637 0.000 2.673) 8.091 8.326 ( 3.872 0.000 -1.495) 4.150 8.420 ( 2.887 0.000 0.977) 3.048 8.490 ( 3.740 0.000 -5.368) 6.543 8.606 ( 4.582 0.000 2.439) 5.191 8.832 ( 0.992 0.000 -0.171) 1.007 8.864 ( 4.269 0.000 -2.444) 4.919 8.911 ( -4.204 0.000 4.682) 6.292 8.951 ( -1.441 0.000 -3.539) 3.822 9.002 ( 6.722 0.000 -2.398) 7.137 9.053 ( -6.057 0.000 5.138) 7.943 9.263 ( -3.609 0.000 1.959) 4.106 9.330 ( -0.636 0.000 5.188) 5.227 9.487 ( -1.197 0.000 -0.973) 1.542 9.510 ( 2.735 0.000 -1.963) 3.367 9.717 ( 3.984 0.000 3.788) 5.498 9.863 ( -1.161 0.000 -1.684) 2.046 9.865 ( -4.838 0.000 -1.267) 5.001 9.994 ( 1.156 0.000 -0.750) 1.378 10.056 ( -3.068 0.000 -5.966) 6.708 10.193 ( 6.433 0.000 -1.977) 6.730 10.319 ( -2.352 0.000 -2.076) 3.137 10.344 ( -3.018 0.000 5.759) 6.501 10.550 ( -2.465 0.000 0.201) 2.474 10.726 ( 1.171 0.000 -1.702) 2.066 10.813 ( -2.771 0.000 -3.228) 4.254 10.922 ( -4.834 0.000 -0.108) 4.835 11.025 ( -3.068 0.000 -4.063) 5.091 11.117 ( 6.110 0.000 3.692) 7.138 11.248 ( 2.148 0.000 7.155) 7.470 11.344 ( 4.518 0.000 8.122) 9.294 11.891 ( -8.928 0.000 2.167) 9.187 11.954 ( -3.331 0.000 -1.691) 3.735 11.979 ( 2.915 0.000 -0.820) 3.028 12.069 ( 5.002 0.000 -1.713) 5.288 12.164 ( 0.283 0.000 -3.559) 3.570 12.259 ( -0.166 0.000 -1.431) 1.441 12.278 ( -3.086 0.000 -0.231) 3.095 12.314 ( 0.755 0.000 0.836) 1.127 12.462 ( 2.962 0.000 -2.585) 3.931 12.518 ( 1.186 0.000 -0.341) 1.235 12.752 ( -0.714 0.000 1.616) 1.766 12.770 ( 3.269 0.000 2.167) 3.923 12.917 ( -4.059 0.000 3.056) 5.081 12.948 ( 5.816 0.000 -0.922) 5.889 13.019 ( -0.383 0.000 3.071) 3.095 13.156 ( -3.575 0.000 0.665) 3.636 13.163 ( 1.945 0.000 -0.517) 2.012 13.291 ( -9.368 0.000 -1.313) 9.460 13.336 ( -2.949 0.000 -0.081) 2.950 13.416 ( 6.724 0.000 1.132) 6.819 13.555 ( -7.301 0.000 -2.949) 7.874 13.559 ( -3.580 0.000 0.550) 3.622 13.686 ( 3.577 0.000 1.923) 4.061 13.711 ( -5.812 0.000 -2.481) 6.320 14.009 ( 4.429 0.000 -11.489) 12.313 14.232 ( 4.120 0.000 -0.742) 4.186 14.253 ( 3.076 0.000 -5.469) 6.275 14.288 ( 2.259 0.000 3.896) 4.504 14.457 ( 6.321 0.000 2.362) 6.748 14.616 ( 5.954 0.000 5.460) 8.078 14.770 ( -3.948 0.000 -1.463) 4.210 14.774 ( -1.271 0.000 -5.104) 5.260 15.098 ( -2.065 0.000 0.822) 2.223 15.235 ( -0.657 0.000 2.022) 2.126 15.360 ( 1.185 0.000 -0.850) 1.458 15.397 ( -0.674 0.000 2.926) 3.002 15.503 ( -1.012 0.000 7.760) 7.826 15.531 ( 5.080 0.000 2.734) 5.769 15.714 ( 6.308 0.000 -4.695) 7.864 15.962 ( 6.880 0.000 5.721) 8.948 16.102 ( -3.201 0.000 -0.669) 3.270 16.178 ( 1.034 0.000 3.721) 3.862 16.247 ( 0.727 0.000 12.596) 12.617 16.339 ( 0.251 0.000 -5.049) 5.056 16.518 ( -6.316 0.000 -3.865) 7.405 16.836 ( -3.464 0.000 2.472) 4.255 16.929 ( -4.858 0.000 -1.420) 5.061 16.933 ( -6.786 0.000 0.861) 6.840 19.198 ( 0.396 0.000 -1.104) 1.173 19.326 ( 4.211 0.000 4.460) 6.134 19.510 ( 0.101 0.000 4.368) 4.369 19.683 ( 2.206 0.000 0.064) 2.207 20.835 ( -2.595 0.000 -1.981) 3.264 21.067 ( -4.228 0.000 1.945) 4.653 21.107 ( 3.631 0.000 -0.182) 3.635 21.173 ( -0.358 0.000 -3.143) 3.164 25.021 ( -0.973 0.000 1.583) 1.858 25.027 ( -0.662 0.000 3.298) 3.364 25.336 ( -3.767 0.000 -4.289) 5.708 25.411 ( -1.485 0.000 1.648) 2.218 25.962 ( 0.095 0.000 4.632) 4.633 26.037 ( 0.996 0.000 -3.809) 3.937 26.055 ( -1.086 0.000 -3.278) 3.454 26.080 ( 0.517 0.000 5.276) 5.302 26.647 ( -1.623 0.000 -3.190) 3.579 26.769 ( 4.985 0.000 -14.063) 14.920 26.891 ( -2.611 0.000 -0.835) 2.741 27.149 ( -3.137 0.000 1.003) 3.293 27.268 ( -8.336 0.000 6.043) 10.296 27.306 ( 0.786 0.000 6.631) 6.677 27.329 ( -2.173 0.000 1.737) 2.782 27.442 ( -0.040 0.000 5.218) 5.218 27.520 ( 1.092 0.000 -0.045) 1.093 27.566 ( -0.764 0.000 1.852) 2.003 27.737 ( -0.027 0.000 -5.611) 5.611 28.040 ( 0.328 0.000 0.464) 0.568 28.108 ( -2.651 0.000 0.488) 2.695 28.161 ( 0.841 0.000 -1.937) 2.112 28.174 ( -2.577 0.000 -1.409) 2.937 28.240 ( -3.039 0.000 1.255) 3.288 28.404 ( 3.314 0.000 -5.062) 6.051 28.459 ( 2.698 0.000 1.467) 3.071 28.602 ( 6.249 0.000 -1.423) 6.409 28.851 ( 4.216 0.000 3.227) 5.309 28.944 ( -1.051 0.000 5.253) 5.357 29.012 ( 12.240 0.000 4.546) 13.057 29.254 ( 7.074 0.000 -1.640) 7.262 29.401 ( 0.269 0.000 -12.236) 12.239 29.689 ( -1.206 0.000 5.199) 5.337 29.771 ( 0.834 0.000 -0.892) 1.221 29.943 ( -1.835 0.000 -0.921) 2.053 30.505 ( -8.003 0.000 -0.254) 8.008 30.596 ( 6.101 0.000 8.124) 10.160 30.777 ( -0.351 0.000 7.237) 7.245 30.858 ( -8.670 0.000 -9.196) 12.639 31.450 ( 4.142 0.000 -15.259) 15.811 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -31.985 0.000 -6.244) 32.589 0.663 ( -27.202 0.000 19.226) 33.310 1.245 ( -48.873 0.000 37.553) 61.634 1.777 ( -3.546 0.000 -0.915) 3.662 1.953 ( 7.627 0.000 -15.909) 17.643 2.172 ( -0.741 0.000 -9.055) 9.086 2.273 ( 6.015 0.000 -7.610) 9.700 2.384 ( -2.366 0.000 0.470) 2.413 2.454 ( -4.853 0.000 3.560) 6.018 2.475 ( 5.535 0.000 -5.904) 8.093 2.614 ( 3.737 0.000 -6.028) 7.092 2.716 ( -4.916 0.000 -4.790) 6.864 2.741 ( -6.109 0.000 0.557) 6.135 2.785 ( 0.298 0.000 -3.794) 3.806 2.824 ( -0.070 0.000 5.902) 5.902 3.016 ( 0.729 0.000 3.564) 3.638 3.022 ( 1.207 0.000 -1.964) 2.305 3.042 ( 3.420 0.000 -1.612) 3.781 3.081 ( 0.051 0.000 1.502) 1.502 3.147 ( 4.548 0.000 7.330) 8.626 3.294 ( -0.865 0.000 3.882) 3.978 3.411 ( -6.301 0.000 -0.350) 6.311 3.433 ( 2.861 0.000 4.681) 5.486 3.647 ( 3.531 0.000 -2.109) 4.113 3.653 ( -6.044 0.000 -3.022) 6.758 3.827 ( 2.250 0.000 -6.450) 6.831 3.839 ( -1.284 0.000 2.907) 3.178 3.978 ( 2.440 0.000 1.417) 2.822 3.995 ( -2.693 0.000 2.783) 3.872 4.132 ( -3.252 0.000 4.128) 5.255 4.176 ( -2.319 0.000 8.340) 8.656 4.275 ( 2.855 0.000 2.150) 3.574 4.299 ( 2.041 0.000 2.540) 3.258 4.371 ( -3.593 0.000 -3.154) 4.780 4.507 ( 2.192 0.000 -5.414) 5.841 4.581 ( 3.883 0.000 -2.304) 4.515 4.582 ( 3.690 0.000 -5.795) 6.870 4.606 ( 2.861 0.000 2.250) 3.639 4.648 ( 3.888 0.000 1.208) 4.071 4.764 ( 2.765 0.000 0.683) 2.848 4.820 ( -5.551 0.000 -0.065) 5.551 4.937 ( -0.751 0.000 2.236) 2.359 5.006 ( 2.212 0.000 -0.483) 2.264 5.080 ( 3.455 0.000 -1.001) 3.597 5.243 ( -0.551 0.000 0.553) 0.781 5.317 ( 4.135 0.000 -6.327) 7.559 5.356 ( 1.399 0.000 -4.655) 4.860 5.415 ( -3.179 0.000 3.698) 4.876 5.442 ( -3.719 0.000 -2.925) 4.732 5.512 ( -0.481 0.000 2.132) 2.186 5.586 ( 10.374 0.000 2.675) 10.713 5.689 ( 2.670 0.000 3.930) 4.751 5.783 ( 7.277 0.000 -4.359) 8.482 5.806 ( 2.353 0.000 -3.106) 3.897 5.881 ( -1.189 0.000 2.650) 2.904 5.904 ( 2.882 0.000 -0.224) 2.891 6.044 ( 2.400 0.000 -1.113) 2.646 6.071 ( 0.304 0.000 1.091) 1.132 6.147 ( -1.698 0.000 -0.099) 1.701 6.223 ( -4.091 0.000 -0.444) 4.115 6.288 ( -4.943 0.000 2.768) 5.665 6.307 ( -4.991 0.000 0.871) 5.066 6.441 ( 2.777 0.000 -1.893) 3.361 6.489 ( -0.241 0.000 4.905) 4.911 6.705 ( 0.151 0.000 -5.003) 5.005 6.859 ( 6.180 0.000 -1.197) 6.295 7.030 ( 2.654 0.000 3.385) 4.302 7.036 ( -12.929 0.000 -17.490) 21.750 7.186 ( 3.976 0.000 3.013) 4.988 7.257 ( -2.173 0.000 -0.357) 2.202 7.258 ( -3.512 0.000 1.360) 3.766 7.478 ( 2.731 0.000 -2.359) 3.609 7.605 ( 4.100 0.000 0.328) 4.113 7.649 ( -2.903 0.000 4.405) 5.276 7.757 ( -1.241 0.000 0.088) 1.244 7.864 ( 2.131 0.000 2.396) 3.206 8.112 ( -0.684 0.000 8.271) 8.299 8.364 ( 2.004 0.000 -0.839) 2.173 8.449 ( 2.185 0.000 4.978) 5.436 8.476 ( 2.989 0.000 -7.380) 7.962 8.490 ( 2.772 0.000 1.866) 3.342 8.710 ( 4.050 0.000 1.519) 4.326 8.805 ( -4.840 0.000 1.999) 5.236 8.843 ( -5.583 0.000 2.395) 6.075 8.917 ( 5.335 0.000 -6.471) 8.386 8.960 ( 6.159 0.000 -1.655) 6.378 9.050 ( 0.477 0.000 2.932) 2.970 9.086 ( 6.409 0.000 -3.964) 7.536 9.214 ( -2.231 0.000 0.413) 2.269 9.352 ( -1.331 0.000 1.441) 1.962 9.480 ( 0.744 0.000 -0.073) 0.748 9.495 ( -2.455 0.000 -1.663) 2.965 9.709 ( -8.455 0.000 0.986) 8.512 9.745 ( -4.911 0.000 -14.225) 15.049 9.879 ( 0.855 0.000 0.371) 0.933 9.982 ( 4.252 0.000 -5.085) 6.629 10.007 ( 3.340 0.000 -4.219) 5.381 10.252 ( -2.389 0.000 -0.847) 2.535 10.289 ( 4.852 0.000 2.008) 5.251 10.318 ( -5.422 0.000 4.414) 6.992 10.520 ( -0.944 0.000 5.374) 5.456 10.748 ( 1.189 0.000 1.446) 1.872 10.758 ( 0.494 0.000 -2.999) 3.039 10.893 ( -1.167 0.000 3.743) 3.920 10.963 ( -0.775 0.000 -1.458) 1.651 11.167 ( 1.457 0.000 -6.760) 6.915 11.309 ( 0.036 0.000 0.090) 0.097 11.415 ( -2.414 0.000 -0.026) 2.414 11.901 ( -1.578 0.000 0.108) 1.582 11.966 ( 7.666 0.000 20.123) 21.534 12.032 ( 3.093 0.000 2.149) 3.767 12.156 ( 5.532 0.000 -0.031) 5.532 12.166 ( 0.744 0.000 2.275) 2.394 12.245 ( -2.152 0.000 2.667) 3.427 12.256 ( -0.668 0.000 0.405) 0.782 12.335 ( 0.922 0.000 0.295) 0.968 12.476 ( -4.018 0.000 -1.448) 4.271 12.509 ( 4.287 0.000 0.009) 4.287 12.772 ( -0.012 0.000 2.418) 2.418 12.840 ( 2.877 0.000 -1.482) 3.236 12.867 ( -1.985 0.000 0.236) 1.999 13.017 ( -0.689 0.000 -0.873) 1.112 13.065 ( 0.498 0.000 6.479) 6.499 13.102 ( -5.309 0.000 -3.246) 6.223 13.121 ( -0.802 0.000 1.188) 1.433 13.151 ( -4.115 0.000 2.748) 4.949 13.300 ( -1.904 0.000 1.384) 2.354 13.378 ( -7.640 0.000 -2.916) 8.178 13.470 ( 1.253 0.000 -0.409) 1.318 13.608 ( -2.447 0.000 -2.014) 3.169 13.643 ( 6.838 0.000 2.718) 7.358 13.772 ( 4.688 0.000 1.331) 4.873 13.989 ( 5.758 0.000 -9.048) 10.724 14.243 ( 0.383 0.000 -2.015) 2.051 14.271 ( -8.616 0.000 4.129) 9.554 14.287 ( 2.482 0.000 -2.464) 3.497 14.573 ( 2.610 0.000 -1.234) 2.887 14.577 ( -2.853 0.000 -5.738) 6.409 14.727 ( 3.623 0.000 -1.278) 3.842 14.873 ( 6.026 0.000 0.578) 6.054 15.055 ( -2.857 0.000 -1.802) 3.378 15.240 ( -0.067 0.000 0.652) 0.655 15.354 ( -0.357 0.000 -1.392) 1.437 15.428 ( 0.124 0.000 3.232) 3.234 15.514 ( -1.753 0.000 1.612) 2.382 15.578 ( 0.416 0.000 -4.631) 4.650 15.851 ( 4.346 0.000 8.408) 9.465 16.063 ( 1.410 0.000 -2.290) 2.689 16.089 ( 4.280 0.000 -2.213) 4.818 16.207 ( 0.412 0.000 -2.523) 2.557 16.332 ( 4.505 0.000 -3.069) 5.451 16.383 ( -4.900 0.000 -3.739) 6.163 16.474 ( 8.452 0.000 9.996) 13.090 16.746 ( -6.704 0.000 -0.564) 6.728 16.794 ( -8.836 0.000 0.527) 8.852 16.952 ( 2.660 0.000 1.939) 3.292 19.201 ( 1.531 0.000 -2.313) 2.774 19.407 ( -2.011 0.000 -8.195) 8.438 19.492 ( -4.674 0.000 -5.685) 7.360 19.707 ( 0.766 0.000 -0.512) 0.922 20.795 ( -0.555 0.000 1.359) 1.468 20.999 ( -3.715 0.000 -0.506) 3.749 21.153 ( 3.095 0.000 6.439) 7.145 21.163 ( 1.985 0.000 1.315) 2.381 25.017 ( -1.251 0.000 1.061) 1.640 25.169 ( 10.174 0.000 10.567) 14.669 25.273 ( -1.405 0.000 1.611) 2.137 25.435 ( 0.185 0.000 10.855) 10.856 25.970 ( -1.756 0.000 -3.383) 3.812 26.014 ( 1.812 0.000 -4.020) 4.409 26.034 ( 0.628 0.000 3.373) 3.431 26.147 ( 0.895 0.000 5.785) 5.854 26.566 ( -10.622 0.000 -22.360) 24.755 26.606 ( -0.821 0.000 1.111) 1.382 26.890 ( 0.715 0.000 2.000) 2.124 27.100 ( -2.662 0.000 0.399) 2.692 27.173 ( -8.506 0.000 3.467) 9.185 27.300 ( -1.601 0.000 -0.429) 1.657 27.436 ( 2.282 0.000 2.198) 3.169 27.501 ( -1.339 0.000 -1.627) 2.107 27.562 ( 4.364 0.000 9.153) 10.140 27.582 ( 0.230 0.000 -0.952) 0.980 27.711 ( 2.855 0.000 -1.978) 3.473 27.918 ( 0.949 0.000 6.364) 6.435 28.109 ( 1.154 0.000 1.102) 1.596 28.168 ( -0.431 0.000 -3.915) 3.939 28.174 ( -1.784 0.000 0.189) 1.794 28.191 ( -0.882 0.000 4.046) 4.141 28.442 ( 4.714 0.000 -2.458) 5.317 28.523 ( 2.251 0.000 2.251) 3.183 28.692 ( 4.643 0.000 0.202) 4.648 28.945 ( 2.094 0.000 3.834) 4.368 29.093 ( 10.820 0.000 18.581) 21.501 29.205 ( 7.666 0.000 -0.880) 7.717 29.319 ( 2.367 0.000 -7.364) 7.735 29.329 ( 2.935 0.000 -2.799) 4.056 29.722 ( -2.041 0.000 5.705) 6.059 29.727 ( -3.737 0.000 -12.713) 13.251 29.899 ( -3.628 0.000 2.218) 4.252 30.334 ( -8.591 0.000 -1.428) 8.709 30.635 ( -5.756 0.000 -7.303) 9.298 30.704 ( -1.420 0.000 4.017) 4.261 30.867 ( 2.895 0.000 3.442) 4.498 31.230 ( -9.839 0.000 -24.931) 26.803 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -3.704 24.446 17.183) 30.110 0.961 ( 12.190 16.100 32.386) 38.166 1.473 ( -6.761 29.949 41.043) 51.256 1.789 ( 10.315 -11.300 15.357) 21.678 1.959 ( 9.564 -2.580 -13.105) 16.428 2.171 ( 2.809 -11.307 -1.533) 11.751 2.220 ( 4.040 1.322 -2.819) 5.101 2.327 ( 4.266 -3.190 2.630) 5.940 2.448 ( 3.530 -1.227 -3.089) 4.848 2.457 ( 0.156 -1.053 2.538) 2.752 2.598 ( 1.456 0.434 -3.859) 4.147 2.724 ( 1.286 -1.174 0.829) 1.929 2.749 ( -1.632 3.152 -0.077) 3.550 2.834 ( 1.988 1.912 2.446) 3.687 2.861 ( -3.703 2.607 0.311) 4.540 2.927 ( -4.824 -3.008 -1.642) 5.917 3.035 ( -4.371 0.097 1.844) 4.745 3.052 ( 0.675 -2.393 4.570) 5.203 3.162 ( 2.662 3.625 2.432) 5.113 3.207 ( 0.951 0.778 -4.296) 4.468 3.304 ( 1.401 -1.358 -3.773) 4.247 3.346 ( -1.412 3.956 -3.394) 5.400 3.553 ( -4.214 1.253 3.866) 5.855 3.614 ( 6.556 0.032 4.290) 7.835 3.675 ( 1.186 0.268 0.053) 1.217 3.801 ( -0.249 -2.338 1.105) 2.598 3.885 ( -0.007 -3.352 1.634) 3.729 3.982 ( -1.843 4.512 5.503) 7.351 4.007 ( -3.726 4.149 -2.662) 6.179 4.087 ( -2.301 -0.579 1.523) 2.820 4.155 ( -1.418 2.308 -2.499) 3.685 4.265 ( -3.349 0.320 -0.764) 3.450 4.313 ( 3.642 -1.212 -6.349) 7.419 4.319 ( -3.749 2.762 -3.085) 5.586 4.439 ( 0.519 -0.290 -5.613) 5.644 4.507 ( 2.794 -4.711 1.238) 5.615 4.612 ( -4.018 0.113 -5.425) 6.752 4.648 ( 3.911 -5.058 1.825) 6.649 4.740 ( 2.891 -3.422 0.858) 4.561 4.797 ( 1.251 5.855 -2.341) 6.428 4.872 ( -0.068 6.211 -1.711) 6.443 4.967 ( 0.262 -0.795 5.441) 5.505 5.009 ( 0.255 -4.868 -4.222) 6.449 5.069 ( -0.238 -2.659 0.401) 2.699 5.138 ( -1.398 0.564 -7.600) 7.748 5.259 ( -0.719 2.180 -2.929) 3.722 5.362 ( -3.814 4.336 -3.543) 6.775 5.410 ( 0.930 2.287 -2.671) 3.637 5.437 ( -0.712 2.384 -2.256) 3.359 5.469 ( -3.010 -1.414 2.932) 4.433 5.541 ( -3.241 -1.175 0.616) 3.502 5.642 ( -5.082 -2.720 -3.259) 6.622 5.738 ( 0.736 -5.356 -3.103) 6.234 5.816 ( 2.055 -1.665 0.118) 2.648 5.888 ( 1.880 -4.557 -1.013) 5.033 5.944 ( 2.997 -0.869 -3.087) 4.390 5.999 ( -2.824 -2.417 0.932) 3.832 6.070 ( 2.281 -2.441 -3.760) 5.030 6.116 ( -1.492 -1.030 0.964) 2.053 6.242 ( 1.750 -3.241 1.537) 3.992 6.304 ( -2.711 1.859 1.852) 3.773 6.345 ( 2.107 5.807 -9.823) 11.604 6.460 ( 0.463 0.023 0.327) 0.567 6.507 ( -0.951 -0.677 1.493) 1.895 6.748 ( 0.278 0.752 5.490) 5.549 6.833 ( -1.327 -2.532 7.112) 7.665 6.945 ( 3.221 -0.475 1.057) 3.424 7.068 ( 3.505 1.457 1.808) 4.205 7.224 ( -1.900 3.086 -0.911) 3.737 7.330 ( -0.840 7.160 -0.934) 7.270 7.371 ( 6.443 0.186 -1.414) 6.599 7.474 ( -1.423 1.160 -1.894) 2.638 7.651 ( 0.443 -0.328 3.606) 3.648 7.709 ( 3.762 -0.693 0.917) 3.933 7.774 ( -1.697 2.521 2.698) 4.064 7.891 ( 1.068 -0.810 -2.180) 2.559 8.271 ( 1.966 -7.142 10.129) 12.549 8.344 ( -0.772 -2.177 -0.205) 2.318 8.502 ( -2.809 2.721 -1.699) 4.264 8.549 ( 9.273 7.873 -3.319) 12.609 8.601 ( 3.333 4.295 -0.613) 5.470 8.723 ( -2.516 -0.595 0.292) 2.601 8.760 ( -4.866 0.474 -0.161) 4.892 8.837 ( -8.060 0.068 -0.560) 8.080 8.852 ( 0.269 0.495 -2.836) 2.892 8.989 ( 10.155 -6.175 -1.108) 11.936 9.047 ( 1.623 -3.133 -0.806) 3.619 9.152 ( 2.766 1.550 -3.302) 4.578 9.224 ( -2.040 -0.376 -0.337) 2.101 9.254 ( -4.962 -3.284 -0.123) 5.952 9.346 ( -4.131 1.012 1.594) 4.542 9.443 ( -2.205 0.758 4.706) 5.252 9.545 ( 3.064 1.790 -0.597) 3.599 9.702 ( -2.026 5.678 2.493) 6.524 9.813 ( 1.550 -9.079 -4.124) 10.091 9.984 ( 2.080 -1.962 1.436) 3.200 10.075 ( 4.447 1.089 -5.693) 7.305 10.165 ( -2.320 -3.818 -1.209) 4.628 10.257 ( -3.947 -1.197 4.490) 6.097 10.320 ( -0.590 0.609 0.971) 1.289 10.580 ( 2.862 -5.913 5.754) 8.733 10.718 ( 0.927 -3.754 -0.129) 3.869 10.802 ( 1.371 -3.806 3.825) 5.567 10.836 ( -1.486 -4.104 2.428) 4.994 11.001 ( 3.096 0.818 1.268) 3.444 11.090 ( 1.663 -0.339 -5.080) 5.356 11.265 ( -3.010 -0.427 -4.594) 5.509 11.334 ( -2.888 -1.023 -3.115) 4.369 11.855 ( -4.332 -3.547 6.941) 8.918 11.921 ( -0.037 1.536 -0.230) 1.554 12.097 ( -1.090 -4.440 1.456) 4.799 12.198 ( 1.344 -3.599 0.681) 3.901 12.225 ( 3.560 3.696 6.524) 8.300 12.324 ( -1.779 5.425 4.020) 6.983 12.364 ( -4.123 1.628 0.628) 4.477 12.401 ( 5.520 3.619 2.793) 7.167 12.501 ( -1.657 2.871 0.665) 3.381 12.596 ( 1.569 4.963 -3.568) 6.311 12.749 ( -1.762 -3.323 -0.444) 3.787 12.831 ( 0.284 -6.470 -3.662) 7.440 12.855 ( 1.273 -2.326 -1.308) 2.957 12.970 ( 0.227 -0.767 -3.630) 3.717 13.050 ( -5.125 -2.264 3.768) 6.752 13.057 ( -2.984 2.689 0.148) 4.020 13.157 ( 1.984 1.547 -1.952) 3.185 13.220 ( -1.000 2.284 4.376) 5.037 13.283 ( -2.753 1.393 -1.509) 3.435 13.448 ( 7.362 -1.111 3.721) 8.323 13.476 ( 1.411 -3.124 4.350) 5.539 13.672 ( 3.019 4.229 -2.982) 5.991 13.676 ( 0.328 -1.293 -0.492) 1.422 13.891 ( -2.556 -5.465 -2.441) 6.508 13.968 ( 12.068 2.092 1.582) 12.349 14.201 ( -2.516 -2.454 0.090) 3.516 14.279 ( -4.098 10.478 -1.066) 11.301 14.343 ( 2.431 4.802 0.788) 5.440 14.526 ( 0.448 2.899 -6.934) 7.529 14.588 ( 0.207 5.682 -6.586) 8.701 14.758 ( -4.881 0.041 4.634) 6.730 14.931 ( 2.872 -1.634 -5.802) 6.677 15.083 ( 2.966 9.586 -7.498) 12.526 15.279 ( -2.555 3.526 -2.813) 5.184 15.349 ( 1.700 1.349 -1.687) 2.749 15.425 ( -3.348 2.974 -4.427) 6.297 15.540 ( -1.212 6.501 1.239) 6.728 15.589 ( 0.565 2.604 1.520) 3.067 15.774 ( -15.855 -4.461 1.393) 16.529 16.006 ( -2.002 -1.860 0.629) 2.804 16.037 ( -4.682 -1.988 4.538) 6.817 16.119 ( 0.490 -0.275 1.774) 1.861 16.249 ( -0.242 -10.387 -1.895) 10.562 16.321 ( 2.398 -0.103 -2.341) 3.353 16.582 ( -2.169 2.910 -1.560) 3.950 16.633 ( 1.047 -0.407 -2.790) 3.008 16.745 ( -0.748 2.573 -1.015) 2.866 16.753 ( -3.894 3.585 -3.298) 6.236 19.081 ( -3.116 3.101 0.613) 4.438 19.231 ( 0.855 3.734 -3.922) 5.482 19.448 ( 0.195 -5.312 2.620) 5.927 19.656 ( 0.292 -5.309 -4.651) 7.064 20.864 ( -0.049 5.767 1.973) 6.096 20.984 ( -0.779 3.356 -1.524) 3.767 21.176 ( 0.383 -2.020 1.661) 2.643 21.269 ( 2.281 -8.845 4.041) 9.989 25.010 ( -0.636 0.482 1.230) 1.466 25.125 ( -3.442 -6.781 3.424) 8.340 25.327 ( 1.028 -0.101 3.344) 3.500 25.397 ( -3.103 -2.731 4.197) 5.891 25.953 ( -0.511 3.408 -5.073) 6.133 26.000 ( -0.992 1.693 -3.680) 4.170 26.141 ( -2.701 3.239 -0.207) 4.223 26.148 ( -0.461 0.539 2.535) 2.633 26.559 ( 12.265 -1.355 6.736) 14.058 26.670 ( 4.757 -0.675 0.717) 4.857 26.971 ( 0.887 3.298 2.891) 4.475 27.056 ( -5.133 0.067 -1.497) 5.347 27.065 ( -1.393 0.566 -1.618) 2.209 27.275 ( -0.237 0.226 -0.106) 0.345 27.328 ( -3.792 -5.441 4.633) 8.090 27.457 ( 0.183 1.554 -1.766) 2.359 27.485 ( -0.276 0.974 -0.914) 1.363 27.649 ( -2.074 4.114 -6.523) 7.986 27.801 ( 0.705 1.447 0.824) 1.808 28.033 ( -2.883 -4.720 -1.647) 5.771 28.120 ( -0.451 3.052 -0.410) 3.112 28.174 ( -0.941 3.246 -2.071) 3.964 28.271 ( 0.867 3.602 2.230) 4.324 28.383 ( 6.542 -3.185 1.251) 7.383 28.445 ( 0.221 -3.346 -0.948) 3.485 28.483 ( -0.483 -5.584 -0.025) 5.605 28.746 ( -2.882 -4.261 4.947) 7.137 28.858 ( 1.943 -5.638 1.538) 6.158 29.052 ( -11.699 3.166 5.019) 13.118 29.305 ( 1.909 3.257 -3.038) 4.846 29.389 ( 7.645 0.871 -0.948) 7.753 29.433 ( -4.415 -0.943 -6.401) 7.833 29.707 ( -3.708 1.853 3.739) 5.583 29.820 ( 17.688 -1.010 1.931) 17.822 29.930 ( -2.510 2.455 5.730) 6.720 30.132 ( -2.943 -6.929 5.601) 9.383 30.610 ( 3.858 0.950 -1.077) 4.116 30.665 ( -3.013 1.567 -1.324) 3.645 30.875 ( -0.798 -1.584 -1.004) 2.038 31.034 ( 9.623 -2.267 -6.596) 11.885 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 10.559 20.141 13.431) 26.411 1.205 ( -3.618 27.554 21.667) 35.239 1.971 ( 10.749 -3.138 -11.243) 15.868 2.109 ( 6.929 -1.455 -1.980) 7.351 2.158 ( 3.067 -8.002 1.283) 8.665 2.190 ( 18.314 3.273 29.885) 35.202 2.296 ( 5.314 -1.398 -7.336) 9.165 2.340 ( -1.700 0.570 -11.738) 11.874 2.443 ( 0.209 -3.675 9.549) 10.234 2.493 ( -0.534 -2.253 -0.982) 2.515 2.548 ( -4.143 2.935 -2.404) 5.617 2.706 ( -4.124 -1.774 2.091) 4.952 2.741 ( 0.164 -7.546 1.626) 7.721 2.785 ( -4.436 -0.521 1.858) 4.837 2.882 ( 0.884 2.948 3.347) 4.547 2.907 ( 1.643 5.350 1.587) 5.817 2.993 ( 0.800 4.276 1.758) 4.692 3.054 ( -1.615 -2.621 -3.193) 4.436 3.176 ( -1.563 -3.236 -3.040) 4.707 3.219 ( -2.716 2.961 0.985) 4.136 3.268 ( 6.492 0.808 -5.976) 8.860 3.326 ( 0.368 3.039 1.720) 3.511 3.541 ( -2.431 -0.299 6.495) 6.941 3.682 ( 0.207 0.595 -2.050) 2.145 3.757 ( 3.358 -0.479 -1.404) 3.671 3.840 ( -4.207 5.145 -9.657) 11.723 3.892 ( 2.453 -2.891 8.533) 9.337 3.956 ( 7.198 -0.821 1.999) 7.516 4.026 ( 1.865 1.352 6.361) 6.765 4.077 ( 1.055 1.544 3.232) 3.734 4.111 ( -5.011 1.705 -1.833) 5.601 4.164 ( -0.110 7.325 -7.109) 10.208 4.257 ( -0.160 -0.896 1.748) 1.971 4.327 ( 2.711 1.128 -5.456) 6.196 4.429 ( 0.573 -1.396 2.707) 3.099 4.489 ( -3.157 -2.894 -4.610) 6.293 4.511 ( -1.634 -4.136 -0.749) 4.510 4.694 ( -3.455 -4.226 0.917) 5.535 4.739 ( -0.984 -2.044 2.242) 3.189 4.824 ( 0.545 0.099 -2.159) 2.228 4.881 ( 1.649 -2.592 1.686) 3.504 4.968 ( 1.214 -3.191 -3.644) 4.993 4.998 ( -3.129 2.923 4.055) 5.897 5.048 ( -2.475 1.525 -1.079) 3.101 5.089 ( 1.940 4.021 -1.704) 4.779 5.196 ( 0.784 3.875 -6.768) 7.838 5.250 ( -4.152 4.785 -3.327) 7.155 5.332 ( -2.992 0.398 -4.778) 5.651 5.369 ( -2.584 0.898 -2.703) 3.846 5.484 ( 1.112 -0.482 -1.010) 1.577 5.519 ( -0.454 -2.511 0.593) 2.620 5.566 ( -2.656 -1.542 2.557) 3.996 5.712 ( -1.726 -6.098 -1.289) 6.467 5.842 ( 1.782 -0.994 -3.005) 3.633 5.874 ( -2.370 -6.011 1.332) 6.598 5.937 ( -1.357 1.225 -1.566) 2.407 5.989 ( 3.679 -2.067 -5.122) 6.636 6.028 ( -1.226 -2.312 -2.805) 3.836 6.130 ( 0.445 -1.209 3.901) 4.108 6.230 ( -2.866 -3.443 -3.705) 5.814 6.274 ( -0.314 0.400 0.143) 0.528 6.327 ( 0.301 1.356 2.008) 2.442 6.475 ( -0.631 -0.984 1.669) 2.037 6.516 ( -1.444 0.494 2.643) 3.052 6.740 ( -3.809 -0.653 3.291) 5.076 6.913 ( -3.828 -2.854 3.710) 6.047 6.973 ( 2.609 0.567 2.466) 3.635 7.164 ( 2.362 3.384 -0.704) 4.186 7.183 ( -0.300 6.748 -0.033) 6.754 7.276 ( -0.752 5.605 -3.954) 6.900 7.430 ( 1.320 -0.705 -3.388) 3.704 7.476 ( 2.723 -3.958 2.248) 5.304 7.709 ( 1.591 0.262 3.850) 4.174 7.744 ( -0.682 0.789 1.006) 1.449 7.796 ( 0.897 -0.398 1.460) 1.760 7.847 ( -0.645 1.734 -3.598) 4.046 8.317 ( -1.213 -6.532 1.331) 6.775 8.371 ( -0.612 -4.129 2.235) 4.735 8.395 ( -6.253 4.111 -0.883) 7.535 8.527 ( -4.600 5.402 -1.072) 7.176 8.577 ( -12.916 0.172 0.447) 12.925 8.651 ( -0.119 3.322 0.194) 3.330 8.730 ( 4.234 2.107 -3.965) 6.172 8.775 ( -0.682 -1.916 0.807) 2.189 8.846 ( 1.480 0.820 -1.924) 2.562 9.045 ( -0.423 -3.667 -0.624) 3.744 9.072 ( -0.173 2.491 -2.490) 3.526 9.115 ( -4.225 0.620 -1.832) 4.646 9.181 ( -0.664 -1.344 -0.817) 1.707 9.220 ( 0.229 -0.973 0.058) 1.001 9.389 ( 6.554 -1.594 2.513) 7.198 9.487 ( 0.403 0.020 3.840) 3.862 9.600 ( 3.108 -0.367 -0.786) 3.227 9.721 ( 2.390 5.236 0.584) 5.786 9.802 ( 1.268 -9.380 -2.620) 9.821 10.015 ( 0.166 1.059 0.063) 1.074 10.083 ( 4.353 0.548 -6.153) 7.557 10.115 ( -1.550 -2.522 -2.189) 3.681 10.234 ( -2.746 -0.240 1.866) 3.328 10.320 ( -0.826 0.746 1.870) 2.176 10.668 ( 0.245 -5.418 5.106) 7.449 10.716 ( -1.327 -3.754 -0.112) 3.984 10.819 ( -0.964 -6.378 1.069) 6.538 10.871 ( 0.801 -4.237 3.241) 5.394 11.003 ( -0.057 1.413 -6.094) 6.256 11.157 ( -2.067 2.564 -4.460) 5.544 11.165 ( 4.497 1.847 5.082) 7.033 11.224 ( -5.348 -1.724 -3.580) 6.663 11.871 ( 0.451 -0.899 3.378) 3.524 11.945 ( 1.245 -2.302 2.519) 3.633 12.078 ( -1.443 -1.628 0.181) 2.183 12.208 ( -1.178 -2.727 0.739) 3.061 12.295 ( -1.640 0.631 0.938) 1.992 12.334 ( -1.784 3.982 3.050) 5.324 12.362 ( 0.576 3.778 6.757) 7.762 12.436 ( -0.765 2.771 -0.037) 2.875 12.493 ( 0.535 6.413 0.156) 6.438 12.609 ( 2.803 -1.826 1.071) 3.512 12.719 ( -2.116 0.551 1.528) 2.667 12.787 ( 0.092 -2.433 -3.166) 3.993 12.855 ( 0.108 -3.526 -2.649) 4.412 12.916 ( -7.318 -3.408 4.889) 9.438 12.993 ( 0.584 1.027 -3.000) 3.224 13.069 ( 2.979 -1.385 0.728) 3.365 13.159 ( -1.621 0.447 -0.549) 1.768 13.242 ( -2.203 3.182 2.134) 4.420 13.286 ( 3.859 2.167 3.847) 5.864 13.483 ( -7.529 -4.610 -3.780) 9.603 13.521 ( 2.049 -5.062 0.793) 5.518 13.576 ( -0.493 -3.914 2.242) 4.538 13.760 ( 3.877 5.899 -0.747) 7.099 13.833 ( -2.757 2.142 -1.453) 3.782 14.158 ( 2.233 1.758 -0.709) 2.929 14.185 ( 1.734 0.682 0.892) 2.066 14.296 ( 1.845 5.871 0.111) 6.155 14.383 ( 0.202 0.486 -1.020) 1.148 14.412 ( 2.431 2.885 -5.369) 6.562 14.536 ( 4.128 7.636 -7.830) 11.690 14.698 ( -6.292 2.228 3.807) 7.684 14.887 ( -0.636 0.683 -4.672) 4.764 15.075 ( -1.888 2.341 -0.615) 3.070 15.181 ( -0.791 5.544 -3.882) 6.814 15.352 ( 0.050 3.303 -3.223) 4.615 15.368 ( 0.177 1.955 0.693) 2.082 15.529 ( -2.303 5.396 2.086) 6.227 15.593 ( -1.684 4.644 0.454) 4.960 15.639 ( -4.197 -1.729 7.243) 8.548 15.945 ( -2.401 -3.604 -3.115) 5.334 15.970 ( -5.487 3.678 2.879) 7.206 16.175 ( 1.461 2.184 2.681) 3.754 16.229 ( -0.903 -10.655 -0.371) 10.700 16.381 ( 4.962 -1.767 0.541) 5.295 16.542 ( -0.207 2.174 1.209) 2.496 16.698 ( 7.932 -0.349 -3.336) 8.612 16.770 ( 4.802 -2.847 0.676) 5.623 16.780 ( 3.933 0.482 -2.231) 4.548 19.088 ( 1.685 0.794 -0.669) 1.979 19.226 ( 2.552 3.077 -2.670) 4.807 19.469 ( -1.336 -5.270 3.441) 6.435 19.615 ( -0.447 -4.445 -3.647) 5.767 20.893 ( 1.056 4.792 2.052) 5.319 20.983 ( 2.169 3.980 -1.678) 4.833 21.158 ( -3.475 -2.735 1.147) 4.569 21.290 ( -1.755 -4.999 0.082) 5.298 25.019 ( -0.201 0.834 1.860) 2.048 25.090 ( -2.335 -1.572 1.753) 3.316 25.390 ( 0.808 -1.734 1.998) 2.766 25.435 ( 3.616 -2.872 5.164) 6.928 25.900 ( -0.907 3.976 -2.044) 4.561 25.953 ( -0.041 2.616 -3.181) 4.119 26.141 ( -0.201 1.156 2.087) 2.395 26.157 ( -0.945 0.760 1.492) 1.922 26.703 ( 1.181 -0.150 -0.481) 1.284 26.827 ( 8.828 -5.288 -0.467) 10.301 26.996 ( 0.514 0.566 2.703) 2.809 27.035 ( 3.946 0.222 0.518) 3.986 27.057 ( 2.061 1.510 -0.216) 2.564 27.267 ( -0.172 1.896 -0.591) 1.993 27.291 ( -3.876 -4.288 4.117) 7.097 27.458 ( 1.052 1.018 -0.723) 1.632 27.480 ( 0.180 1.863 -1.183) 2.214 27.584 ( 1.155 7.844 -2.849) 8.424 27.845 ( -0.402 -3.220 3.340) 4.657 27.939 ( -2.659 -2.648 -5.142) 6.366 28.074 ( -3.366 4.015 -0.550) 5.268 28.164 ( 1.258 3.208 -0.136) 3.448 28.279 ( -0.950 3.088 -0.581) 3.283 28.404 ( -2.555 -4.176 -0.784) 4.958 28.425 ( -3.421 -7.754 4.223) 9.469 28.491 ( 1.725 -1.667 -0.972) 2.588 28.705 ( -4.672 -0.620 2.738) 5.450 28.813 ( -8.148 -5.600 0.794) 9.918 28.976 ( -4.638 3.488 5.313) 7.868 29.203 ( -10.946 1.316 -1.311) 11.102 29.354 ( -3.031 0.838 -2.894) 4.274 29.470 ( 4.719 2.870 -5.295) 7.652 29.694 ( 2.574 5.216 2.787) 6.449 29.914 ( -4.454 2.483 4.325) 6.686 29.990 ( 2.475 -2.189 1.631) 3.685 30.211 ( 4.289 -7.673 1.321) 8.889 30.473 ( -8.571 -0.424 -4.495) 9.688 30.748 ( -0.885 -6.392 1.127) 6.551 30.853 ( 10.410 5.712 -1.301) 11.945 31.259 ( 16.815 -6.938 -8.069) 19.899 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.073 21.791 8.333) 23.682 1.393 ( 11.815 13.070 10.124) 20.321 1.864 ( -11.620 2.195 -27.774) 30.187 1.977 ( 0.867 -0.446 -14.575) 14.608 2.039 ( -1.949 -2.179 -6.562) 7.184 2.143 ( -5.753 -3.372 -1.386) 6.811 2.213 ( -9.550 0.966 -6.660) 11.683 2.308 ( -1.294 -0.423 -11.771) 11.850 2.413 ( 2.526 -7.317 -6.221) 9.931 2.608 ( 2.889 -0.765 1.989) 3.590 2.650 ( -7.439 -0.841 -0.100) 7.487 2.703 ( 1.813 -9.734 4.433) 10.849 2.784 ( -2.681 -2.630 2.536) 4.532 2.819 ( 0.549 2.366 2.654) 3.598 2.920 ( 6.347 1.843 8.568) 10.821 2.993 ( 1.780 1.877 -1.115) 2.817 3.044 ( 0.000 4.295 3.962) 5.843 3.106 ( 2.168 -5.223 6.582) 8.677 3.142 ( 3.350 8.347 8.879) 12.638 3.181 ( 0.428 0.686 2.868) 2.980 3.347 ( 7.997 -1.607 -2.887) 8.653 3.381 ( 3.135 5.372 1.161) 6.327 3.605 ( 0.974 -0.918 6.288) 6.429 3.648 ( -0.360 2.199 -2.168) 3.109 3.743 ( -0.643 -0.857 -3.087) 3.267 3.755 ( 3.303 2.574 -3.481) 5.446 3.922 ( -0.952 -1.422 -12.483) 12.599 3.990 ( 0.198 2.329 5.020) 5.537 4.072 ( 4.557 3.750 3.569) 6.897 4.125 ( 1.826 6.298 1.165) 6.660 4.162 ( 5.116 3.766 -0.424) 6.367 4.216 ( -0.353 5.537 -7.982) 9.721 4.301 ( 2.934 -4.305 6.126) 8.042 4.346 ( -0.849 -1.385 4.984) 5.243 4.404 ( 0.736 -0.143 1.803) 1.953 4.501 ( 2.246 -6.916 1.107) 7.355 4.524 ( 2.795 -2.569 3.139) 4.926 4.620 ( -3.904 -5.570 -2.000) 7.090 4.676 ( -3.699 -1.221 -1.877) 4.324 4.821 ( -1.884 0.507 1.118) 2.248 4.873 ( -0.864 -3.474 -0.332) 3.595 4.951 ( -6.898 -0.327 3.812) 7.888 4.966 ( -2.074 4.038 0.318) 4.550 4.998 ( -2.250 0.244 -2.393) 3.294 5.104 ( 3.177 4.219 1.136) 5.402 5.179 ( 2.666 0.308 -3.927) 4.756 5.236 ( 0.839 3.113 2.387) 4.011 5.257 ( -2.189 0.465 -1.105) 2.496 5.326 ( 1.711 1.012 -2.475) 3.175 5.465 ( -3.452 -0.851 0.132) 3.558 5.510 ( 0.474 -3.469 -4.649) 5.820 5.570 ( -1.256 -1.852 4.527) 5.050 5.666 ( -2.835 -3.817 1.802) 5.085 5.790 ( -1.689 -2.159 -5.133) 5.819 5.843 ( -3.207 -1.110 2.064) 3.972 5.887 ( -2.659 -0.230 -0.119) 2.672 6.005 ( 0.423 -2.017 -1.406) 2.495 6.033 ( 5.938 -1.336 -4.289) 7.446 6.128 ( -3.814 -4.781 -0.171) 6.118 6.210 ( 1.005 -1.200 4.181) 4.464 6.266 ( -0.310 -2.020 0.231) 2.057 6.345 ( -0.175 -2.204 0.591) 2.288 6.448 ( -4.152 0.228 1.263) 4.346 6.520 ( -0.661 -0.686 2.034) 2.246 6.700 ( -3.354 0.494 1.015) 3.539 6.835 ( -5.329 3.649 1.202) 6.570 7.026 ( -0.370 -1.619 -0.858) 1.870 7.103 ( -1.503 3.541 -1.985) 4.329 7.219 ( -0.792 4.757 1.049) 4.936 7.251 ( 2.267 3.150 -1.979) 4.357 7.397 ( 0.075 0.413 -4.255) 4.275 7.579 ( 3.367 -7.805 6.055) 10.436 7.676 ( -3.226 2.196 -5.689) 6.898 7.756 ( 1.657 2.504 -0.951) 3.150 7.830 ( 1.110 -0.424 1.383) 1.824 7.852 ( 0.932 -1.864 2.310) 3.112 8.261 ( -4.528 0.487 -1.192) 4.708 8.294 ( -7.359 2.401 -0.145) 7.742 8.352 ( -5.344 -0.027 1.718) 5.613 8.377 ( -3.003 1.955 -1.964) 4.086 8.450 ( -4.122 1.482 0.701) 4.436 8.677 ( -1.780 -3.645 -0.579) 4.098 8.689 ( -1.927 2.681 -0.579) 3.352 8.801 ( 3.938 -0.351 -3.262) 5.126 8.850 ( 0.231 1.146 -0.687) 1.355 8.945 ( -5.763 3.559 -1.591) 6.958 9.050 ( -1.452 0.159 0.741) 1.638 9.075 ( -1.996 1.212 4.553) 5.117 9.209 ( 5.167 -1.183 -2.255) 5.761 9.237 ( 0.967 -1.244 0.733) 1.737 9.497 ( -1.061 -0.926 0.889) 1.665 9.530 ( 4.529 -3.171 2.384) 6.021 9.622 ( -0.230 -1.444 0.637) 1.595 9.774 ( 1.362 2.344 0.020) 2.711 9.801 ( 3.811 -8.066 -4.012) 9.782 9.992 ( -2.516 2.399 0.851) 3.579 10.071 ( 0.775 2.139 -3.554) 4.220 10.140 ( 7.074 -1.450 -3.221) 7.907 10.201 ( -1.851 1.185 -0.347) 2.225 10.326 ( -0.636 0.209 1.648) 1.778 10.671 ( -5.232 -4.245 4.146) 7.911 10.695 ( -0.253 -3.397 -2.338) 4.131 10.813 ( 1.498 -7.624 -3.091) 8.362 10.898 ( -2.536 -5.680 4.453) 7.650 10.917 ( -0.324 3.464 -5.095) 6.169 11.085 ( -4.357 0.675 -1.821) 4.770 11.152 ( 2.811 6.527 -0.866) 7.159 11.303 ( 2.852 2.162 5.764) 6.785 11.916 ( 1.723 -0.808 0.718) 2.034 11.983 ( -0.794 -3.735 3.048) 4.886 12.078 ( 1.225 1.224 -0.031) 1.732 12.182 ( -1.930 2.220 1.476) 3.291 12.309 ( 1.431 -5.692 -0.346) 5.879 12.313 ( -0.272 2.113 -0.261) 2.146 12.391 ( 0.111 3.401 1.850) 3.873 12.452 ( -1.795 -2.216 0.804) 2.963 12.538 ( 3.267 3.081 2.509) 5.144 12.665 ( 1.983 -3.544 0.116) 4.063 12.699 ( -4.039 -3.068 2.887) 5.836 12.762 ( -2.008 0.085 0.711) 2.132 12.792 ( -1.502 0.387 -2.049) 2.570 12.897 ( -1.865 -3.961 4.844) 6.529 12.999 ( 2.334 1.876 -2.420) 3.850 13.087 ( -2.636 -2.028 -2.721) 4.297 13.155 ( 1.300 -2.329 1.878) 3.262 13.221 ( -3.546 2.120 3.408) 5.356 13.290 ( -5.476 -5.577 -1.911) 8.046 13.410 ( 4.974 1.652 4.333) 6.800 13.571 ( 3.405 -0.992 -2.171) 4.158 13.632 ( 4.807 -0.678 -0.994) 4.955 13.777 ( -0.730 6.798 -0.682) 6.872 13.781 ( 0.195 2.304 -4.084) 4.693 14.033 ( -7.676 5.760 -5.825) 11.226 14.129 ( -6.879 2.101 -1.555) 7.359 14.297 ( -1.054 -1.859 0.852) 2.300 14.365 ( 0.419 -2.193 -2.156) 3.104 14.550 ( 7.643 3.699 -1.040) 8.555 14.590 ( 4.179 9.398 0.730) 10.311 14.653 ( -0.901 -0.615 3.415) 3.585 14.836 ( 0.665 2.425 -4.412) 5.078 15.008 ( -1.263 -0.013 -2.048) 2.406 15.207 ( 1.577 5.803 2.456) 6.495 15.340 ( 1.108 0.526 -1.233) 1.739 15.388 ( 0.198 2.243 2.889) 3.663 15.505 ( -2.522 2.899 0.871) 3.940 15.561 ( -3.507 4.893 2.107) 6.378 15.662 ( -0.049 0.655 3.386) 3.449 15.885 ( -5.555 2.512 2.537) 6.604 15.923 ( 0.500 -1.446 -1.094) 1.881 16.179 ( -3.758 -6.482 -0.849) 7.540 16.255 ( 3.773 1.596 2.812) 4.970 16.461 ( 1.985 -1.269 1.598) 2.847 16.573 ( 2.381 -2.904 0.589) 3.801 16.804 ( 8.007 -0.868 -5.317) 9.650 16.815 ( 2.889 -2.736 -1.010) 4.105 16.875 ( 6.060 -3.944 0.937) 7.291 19.115 ( 1.577 0.620 0.387) 1.738 19.261 ( 2.908 2.155 -0.082) 3.621 19.467 ( -2.978 -5.084 3.427) 6.816 19.566 ( -0.922 -3.365 -3.579) 4.998 20.937 ( 2.185 2.300 1.102) 3.358 20.998 ( 0.604 4.252 -1.738) 4.633 21.111 ( -1.966 -1.728 0.921) 2.775 21.235 ( -3.847 -0.613 -0.450) 3.921 25.035 ( -0.275 0.785 1.814) 1.995 25.082 ( -0.197 -0.367 0.314) 0.522 25.417 ( 1.211 -0.888 0.300) 1.532 25.555 ( 3.490 -5.782 4.228) 7.967 25.879 ( -0.311 3.362 -0.321) 3.392 25.937 ( 0.298 3.087 -0.732) 3.186 26.147 ( -1.296 1.210 0.463) 1.832 26.153 ( -0.640 0.724 1.479) 1.767 26.669 ( 0.741 1.738 -5.989) 6.280 26.875 ( 3.223 -3.322 -7.246) 8.598 27.083 ( 1.287 -1.253 -0.712) 1.932 27.103 ( 5.207 -1.740 2.319) 5.960 27.158 ( 3.844 -1.620 7.691) 8.749 27.271 ( -1.517 -0.388 7.080) 7.251 27.332 ( 4.592 -2.000 1.157) 5.141 27.444 ( -1.120 -1.580 -0.766) 2.082 27.501 ( 4.309 6.147 -0.960) 7.568 27.606 ( -0.470 9.543 3.591) 10.207 27.780 ( -1.668 -2.467 -6.698) 7.330 27.939 ( 1.165 -0.317 3.126) 3.351 28.020 ( -2.238 4.697 0.544) 5.231 28.158 ( -2.173 1.864 -3.092) 4.214 28.245 ( -0.062 2.050 -1.601) 2.602 28.364 ( -1.248 -3.082 -0.912) 3.448 28.406 ( -3.245 -4.147 4.683) 7.047 28.489 ( -1.102 -2.687 -1.218) 3.149 28.646 ( -5.167 -4.977 -2.902) 7.739 28.652 ( -9.256 -3.544 3.457) 10.497 28.897 ( -8.419 3.429 -1.593) 9.229 28.981 ( -11.511 6.621 2.238) 13.466 29.263 ( -3.432 -0.505 -2.244) 4.131 29.495 ( 4.337 0.121 -4.272) 6.089 29.802 ( 5.084 2.274 0.368) 5.581 29.879 ( -1.987 3.620 0.371) 4.145 30.033 ( -2.443 -2.261 7.338) 8.058 30.224 ( -2.189 -7.040 0.063) 7.372 30.298 ( -5.555 1.708 -5.278) 7.850 30.758 ( 1.515 -8.453 3.780) 9.383 31.082 ( 14.043 5.263 -1.578) 15.080 31.400 ( 9.564 -3.677 -8.031) 13.018 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.397 6.983 -8.393) 11.770 1.607 ( 2.461 8.102 3.169) 9.041 1.634 ( 7.313 6.732 -0.588) 9.957 1.838 ( -1.970 -2.400 -2.637) 4.074 1.918 ( -7.363 -0.284 3.415) 8.121 2.027 ( -6.405 2.519 1.398) 7.024 2.100 ( 3.074 0.731 -1.509) 3.502 2.297 ( 14.725 4.043 -16.260) 22.307 2.386 ( -1.575 -6.669 -1.946) 7.124 2.523 ( -5.138 -0.707 1.462) 5.388 2.597 ( -0.701 -1.080 -2.586) 2.889 2.742 ( -2.523 -3.856 -0.450) 4.630 2.773 ( 0.054 -1.418 1.169) 1.838 2.800 ( 1.622 -2.266 0.966) 2.950 2.982 ( -4.054 3.418 0.886) 5.376 3.054 ( 1.208 5.604 4.552) 7.320 3.101 ( -0.537 -3.612 6.170) 7.170 3.137 ( -2.664 -0.640 6.552) 7.102 3.155 ( -0.569 5.697 3.236) 6.577 3.364 ( 2.525 -0.553 3.599) 4.431 3.431 ( 3.571 -0.297 -3.263) 4.846 3.461 ( 3.637 -1.843 0.446) 4.101 3.604 ( -4.254 4.749 2.452) 6.831 3.706 ( 5.119 0.340 2.350) 5.643 3.771 ( 9.723 -2.098 -7.155) 12.253 3.808 ( 3.911 -0.635 -3.019) 4.981 3.893 ( 5.467 4.182 0.019) 6.884 4.038 ( -1.407 7.958 3.022) 8.628 4.089 ( -4.155 2.796 -1.148) 5.139 4.119 ( -1.888 4.273 -3.490) 5.831 4.153 ( 1.731 1.153 -5.960) 6.312 4.218 ( -1.127 2.426 -5.156) 5.809 4.240 ( 1.818 -3.939 1.873) 4.725 4.406 ( 0.073 2.455 2.753) 3.689 4.486 ( -2.039 0.089 0.985) 2.266 4.504 ( 0.249 -2.526 -1.212) 2.813 4.535 ( -3.368 0.258 -3.730) 5.032 4.617 ( 4.521 -4.034 -1.264) 6.190 4.636 ( 1.337 -2.710 0.921) 3.159 4.794 ( -4.031 -5.057 1.991) 6.767 4.837 ( -2.965 -0.355 2.369) 3.812 4.860 ( -5.176 -3.934 0.423) 6.515 4.937 ( -3.446 -1.870 -0.454) 3.947 5.000 ( 5.273 3.885 0.343) 6.559 5.127 ( -0.650 2.499 -1.995) 3.263 5.167 ( -2.547 2.502 -1.035) 3.717 5.231 ( -0.345 0.942 2.381) 2.584 5.292 ( 1.136 1.525 3.225) 3.744 5.350 ( 3.485 0.088 -3.708) 5.089 5.402 ( -3.170 -0.204 1.955) 3.730 5.469 ( 0.296 -3.792 -1.692) 4.163 5.582 ( -2.715 -3.476 2.780) 5.214 5.645 ( -2.081 1.830 1.988) 3.411 5.735 ( 0.155 -1.511 -2.235) 2.702 5.811 ( -1.838 -2.403 -2.050) 3.655 5.867 ( -1.721 -0.458 4.948) 5.258 5.999 ( 1.709 -0.341 -4.212) 4.558 6.022 ( -1.500 -2.702 -2.243) 3.819 6.127 ( 2.965 -5.808 0.464) 6.537 6.254 ( -0.685 -4.905 0.861) 5.027 6.277 ( -0.160 -0.264 4.518) 4.528 6.345 ( -1.691 -3.219 3.437) 5.004 6.386 ( -3.111 1.222 0.003) 3.342 6.517 ( -1.716 -2.580 0.056) 3.099 6.655 ( -1.588 2.955 -0.429) 3.382 6.783 ( -1.659 6.693 -0.370) 6.906 6.976 ( -1.183 -2.732 -0.933) 3.120 7.081 ( -0.792 -0.111 -0.458) 0.922 7.197 ( -1.979 3.108 1.830) 4.114 7.303 ( 3.166 0.909 -0.951) 3.429 7.371 ( 1.271 2.327 -1.556) 3.074 7.556 ( -3.557 1.927 -5.172) 6.566 7.676 ( 0.973 -7.392 3.403) 8.195 7.756 ( 2.403 0.254 -5.319) 5.842 7.837 ( -0.678 -1.222 -1.079) 1.765 7.887 ( 0.477 -1.524 1.405) 2.126 8.166 ( -6.359 2.018 1.229) 6.784 8.210 ( -2.302 6.383 0.419) 6.798 8.239 ( 0.063 3.983 -4.322) 5.877 8.378 ( -1.197 6.305 -1.706) 6.641 8.430 ( -0.084 -4.705 3.198) 5.690 8.556 ( -4.929 -3.057 -4.904) 7.596 8.681 ( -2.616 -0.857 4.824) 5.554 8.827 ( -0.034 0.784 0.894) 1.190 8.859 ( 1.758 1.472 -0.661) 2.386 8.883 ( 0.007 2.983 -0.763) 3.079 9.056 ( -1.023 -0.230 4.598) 4.716 9.109 ( -1.150 2.600 5.769) 6.432 9.237 ( 0.806 -3.558 -1.624) 3.993 9.305 ( 5.364 -0.463 -0.156) 5.387 9.452 ( -3.964 1.585 0.400) 4.287 9.586 ( -1.650 -2.196 1.863) 3.319 9.631 ( 1.939 -3.659 0.512) 4.173 9.770 ( 1.203 -8.893 -1.963) 9.186 9.858 ( 4.639 4.321 -1.271) 6.466 9.956 ( -2.326 2.549 -0.092) 3.452 10.074 ( 2.387 7.101 -1.687) 7.679 10.177 ( -1.353 -1.206 2.267) 2.903 10.235 ( 6.272 -2.524 -3.296) 7.522 10.337 ( -0.173 0.209 2.719) 2.733 10.601 ( -4.723 -4.339 0.726) 6.454 10.652 ( -0.176 -5.725 -3.119) 6.522 10.802 ( 0.958 -1.225 -3.253) 3.606 10.879 ( 0.037 -5.288 1.778) 5.579 10.955 ( 0.707 -1.675 4.668) 5.009 11.038 ( -0.663 1.466 0.745) 1.773 11.202 ( 2.774 6.613 -0.195) 7.174 11.355 ( -2.042 3.232 2.632) 4.641 11.932 ( -0.070 -0.600 -0.443) 0.749 11.999 ( 0.253 -3.490 1.754) 3.915 12.076 ( -0.773 3.903 -1.038) 4.112 12.187 ( 1.228 0.169 -1.769) 2.160 12.279 ( -0.292 -3.785 -3.224) 4.980 12.364 ( 3.372 -2.479 -2.545) 4.898 12.383 ( -1.805 -3.709 -0.004) 4.125 12.434 ( 1.019 1.131 -0.925) 1.781 12.557 ( -2.622 0.135 -2.573) 3.676 12.599 ( -3.926 -2.863 -2.426) 5.431 12.673 ( -3.612 -2.133 1.150) 4.350 12.767 ( 0.196 0.287 0.552) 0.652 12.805 ( 2.991 -3.742 2.923) 5.612 12.927 ( -1.387 -1.843 5.423) 5.893 12.970 ( -2.039 -0.128 -1.756) 2.693 13.041 ( -1.040 -1.315 -0.474) 1.742 13.127 ( 0.838 -0.514 -1.550) 1.836 13.189 ( -4.093 1.085 2.532) 4.933 13.339 ( 3.253 -4.029 5.166) 7.314 13.513 ( 0.837 -3.776 4.176) 5.692 13.602 ( 3.903 5.656 -3.524) 7.723 13.683 ( 3.856 3.462 -3.670) 6.350 13.732 ( 0.093 2.354 -3.216) 3.987 13.798 ( 3.678 3.314 2.186) 5.412 13.898 ( -3.023 5.167 -2.579) 6.518 14.003 ( -6.554 5.225 1.720) 8.556 14.222 ( -4.211 -1.676 -6.516) 7.938 14.340 ( -0.887 -4.562 -2.085) 5.094 14.592 ( -1.200 -0.940 -0.089) 1.527 14.651 ( 1.346 4.927 5.896) 7.801 14.688 ( 1.352 4.696 -4.014) 6.324 14.872 ( 6.436 5.154 -1.634) 8.406 15.006 ( 0.514 0.947 1.653) 1.973 15.255 ( 1.860 4.371 1.313) 4.928 15.353 ( 0.718 -1.993 0.053) 2.119 15.419 ( -0.423 1.206 2.265) 2.600 15.469 ( -1.721 3.040 -0.092) 3.494 15.516 ( -4.680 3.279 2.706) 6.322 15.697 ( 1.474 2.726 0.946) 3.240 15.819 ( -4.257 2.536 1.868) 5.295 15.951 ( 0.754 -0.524 3.579) 3.694 16.109 ( -2.644 -3.295 -0.495) 4.253 16.324 ( 2.171 0.090 0.227) 2.185 16.466 ( -1.569 4.694 -0.966) 5.042 16.620 ( 2.073 -9.966 0.296) 10.184 16.846 ( 2.800 -3.510 -0.233) 4.496 16.880 ( 4.994 -1.206 -3.741) 6.355 16.979 ( 4.037 -3.733 1.499) 5.699 19.144 ( 0.932 0.516 1.062) 1.504 19.304 ( 1.120 0.563 0.272) 1.282 19.436 ( -3.884 -4.690 2.589) 6.617 19.529 ( 0.303 -3.070 -1.601) 3.476 20.970 ( 0.836 2.191 -2.529) 3.449 20.993 ( 1.051 1.653 2.495) 3.172 21.116 ( -0.377 1.841 1.999) 2.743 21.168 ( -2.775 0.997 -0.260) 2.961 25.041 ( -0.579 0.640 0.926) 1.266 25.081 ( 0.081 -0.349 -0.558) 0.663 25.433 ( 0.951 -0.016 -0.923) 1.326 25.611 ( 0.198 -5.996 0.075) 5.999 25.882 ( 0.145 2.894 1.124) 3.108 25.941 ( 0.125 2.831 0.765) 2.936 26.125 ( -0.911 1.268 -0.602) 1.673 26.147 ( -1.256 0.550 0.513) 1.463 26.645 ( 2.768 2.337 -4.576) 5.837 26.841 ( 2.955 -2.004 -9.344) 10.003 27.081 ( 0.406 -1.665 -1.288) 2.144 27.171 ( 1.574 -3.203 -0.941) 3.691 27.263 ( 2.065 -2.229 4.151) 5.145 27.320 ( -1.576 -2.266 4.107) 4.948 27.404 ( 0.966 -0.494 0.176) 1.099 27.438 ( -1.340 -2.564 5.053) 5.822 27.559 ( -2.144 4.660 1.220) 5.272 27.676 ( 8.505 4.901 3.361) 10.376 27.760 ( 1.291 7.989 -0.038) 8.093 27.942 ( -0.757 0.831 0.133) 1.132 28.021 ( 0.013 3.754 -1.311) 3.977 28.063 ( -2.550 -1.049 -2.083) 3.456 28.253 ( 1.859 1.322 -0.558) 2.348 28.322 ( -1.929 -3.741 -1.802) 4.578 28.414 ( -2.419 -4.483 4.254) 6.636 28.437 ( -2.529 0.041 -0.556) 2.590 28.523 ( -6.353 -4.562 5.098) 9.336 28.583 ( -1.379 -2.605 -1.563) 3.336 28.730 ( -5.702 7.273 -4.088) 10.105 28.873 ( -6.311 6.646 5.502) 10.690 29.194 ( -1.665 -2.488 -3.542) 4.638 29.542 ( 4.422 -4.295 -1.175) 6.275 29.829 ( 0.961 1.668 -5.846) 6.155 29.833 ( -1.612 2.584 -2.442) 3.904 30.040 ( -4.269 -1.876 5.945) 7.556 30.170 ( -3.698 -2.171 -1.267) 4.472 30.266 ( 1.305 0.117 7.934) 8.041 30.827 ( 0.967 -8.995 2.891) 9.497 31.254 ( 9.119 4.205 -4.996) 11.216 31.444 ( 5.373 -1.211 -7.672) 9.444 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 16.512 -0.336 12.012) 20.422 1.707 ( -4.056 10.966 4.526) 12.537 1.746 ( 4.280 2.022 6.871) 8.343 1.904 ( 8.755 -3.063 9.728) 13.441 1.921 ( 0.874 1.268 8.375) 8.515 2.032 ( 2.511 0.658 4.802) 5.459 2.213 ( 7.159 2.588 5.787) 9.563 2.312 ( 0.450 -3.062 -6.080) 6.822 2.429 ( 8.549 1.120 -2.404) 8.951 2.554 ( 7.473 1.982 0.174) 7.733 2.598 ( 1.478 -0.029 0.730) 1.649 2.684 ( -3.583 -3.001 -2.671) 5.384 2.783 ( 1.776 2.391 -3.731) 4.774 2.814 ( -2.010 -3.382 3.449) 5.232 2.931 ( -1.347 3.075 -0.232) 3.365 3.064 ( -7.246 0.989 7.725) 10.638 3.112 ( -2.975 -0.751 0.710) 3.150 3.134 ( -2.393 2.908 4.362) 5.763 3.187 ( -4.422 4.096 7.314) 9.478 3.330 ( -4.394 -3.247 -5.776) 7.950 3.449 ( -1.330 -5.876 0.839) 6.082 3.486 ( 2.953 7.485 -1.290) 8.149 3.617 ( 1.151 -0.317 3.175) 3.392 3.741 ( -1.137 -0.935 -3.541) 3.835 3.766 ( -1.523 2.813 -4.007) 5.128 3.812 ( -12.366 9.080 0.746) 15.360 3.976 ( -0.288 3.405 -1.224) 3.630 4.002 ( 7.449 2.687 -1.253) 8.017 4.022 ( -0.113 3.168 -5.035) 5.950 4.054 ( 2.098 -1.300 -5.463) 5.995 4.110 ( -0.655 -1.595 0.525) 1.802 4.214 ( 5.269 -1.550 -6.166) 8.258 4.295 ( 3.803 -2.141 -4.323) 6.143 4.390 ( -3.076 2.911 -4.053) 5.862 4.393 ( -3.920 1.837 -5.010) 6.621 4.437 ( -1.548 -2.559 -0.455) 3.025 4.517 ( 1.354 5.242 0.121) 5.416 4.619 ( -0.363 -0.874 -5.611) 5.691 4.662 ( -1.039 -4.176 -1.566) 4.579 4.721 ( -5.011 -6.053 2.277) 8.181 4.785 ( -0.400 -5.885 -1.312) 6.043 4.859 ( -0.945 -2.610 5.565) 6.219 4.866 ( 0.016 -2.249 -4.021) 4.607 5.093 ( -1.462 -1.706 0.077) 2.248 5.097 ( 0.374 6.504 -3.049) 7.193 5.143 ( 5.041 4.491 3.830) 7.762 5.261 ( 1.894 1.513 -0.780) 2.547 5.307 ( -0.402 2.179 4.586) 5.093 5.359 ( 0.671 -1.606 -2.095) 2.723 5.421 ( -0.257 0.953 2.350) 2.549 5.495 ( 1.887 0.082 0.798) 2.050 5.557 ( -2.077 -3.196 3.261) 5.016 5.621 ( -1.788 0.099 -0.856) 1.985 5.694 ( -2.371 -0.155 -3.879) 4.549 5.780 ( 2.738 -6.396 -1.633) 7.147 5.921 ( 1.217 0.579 6.379) 6.519 5.981 ( -0.254 -5.909 -1.824) 6.189 6.015 ( 2.076 -1.276 0.067) 2.438 6.174 ( 0.210 -3.169 0.342) 3.195 6.240 ( 0.016 -1.909 1.216) 2.264 6.314 ( -2.089 -1.355 2.197) 3.320 6.348 ( -0.207 1.214 0.954) 1.557 6.357 ( -1.888 -3.735 3.497) 5.454 6.461 ( -1.836 -1.053 -2.952) 3.633 6.649 ( 0.387 1.860 1.334) 2.322 6.755 ( -0.371 6.072 -1.419) 6.247 7.004 ( 2.508 -3.298 2.275) 4.727 7.066 ( 0.333 -0.838 -0.874) 1.256 7.210 ( -0.330 2.892 3.760) 4.755 7.297 ( 0.212 3.155 -2.560) 4.068 7.417 ( 2.051 -2.387 -0.446) 3.178 7.461 ( -1.405 2.572 -3.085) 4.255 7.670 ( 0.130 0.348 -4.083) 4.100 7.746 ( -0.397 -4.841 -3.025) 5.722 7.788 ( -0.606 -3.321 -3.363) 4.765 7.909 ( 2.160 -1.490 -0.733) 2.724 8.085 ( -3.587 4.507 -0.632) 5.795 8.205 ( -0.155 5.619 2.601) 6.194 8.263 ( 5.678 3.096 -4.458) 7.854 8.354 ( 0.501 4.094 -1.191) 4.293 8.430 ( -2.949 0.065 2.958) 4.177 8.481 ( 1.990 -1.142 -2.065) 3.087 8.724 ( -0.265 -6.278 6.311) 8.906 8.823 ( -1.120 0.317 0.489) 1.263 8.888 ( 1.200 1.781 2.370) 3.198 8.912 ( 3.119 3.480 -0.519) 4.702 9.080 ( -2.415 1.377 3.941) 4.823 9.114 ( -4.665 2.791 5.670) 7.855 9.252 ( 2.404 -4.504 -0.421) 5.123 9.356 ( -0.732 2.191 0.948) 2.497 9.408 ( 0.361 0.987 -0.675) 1.249 9.549 ( -2.680 -1.712 -0.176) 3.185 9.677 ( 0.189 -2.518 2.614) 3.634 9.779 ( 2.346 -8.310 -2.694) 9.045 9.917 ( -0.615 1.507 0.999) 1.910 9.921 ( 1.847 3.687 0.035) 4.124 10.099 ( 1.633 6.800 -0.656) 7.024 10.214 ( 0.571 -2.691 5.476) 6.128 10.254 ( 0.765 -0.671 -3.750) 3.886 10.367 ( -0.496 -0.143 2.651) 2.700 10.555 ( -1.234 -4.860 -0.184) 5.017 10.663 ( 3.776 -6.413 -1.720) 7.639 10.809 ( 2.130 0.869 0.785) 2.431 10.902 ( -1.303 -7.829 4.302) 9.027 11.002 ( -0.596 -0.786 3.948) 4.070 11.069 ( 1.546 1.705 3.826) 4.465 11.221 ( 0.480 4.681 -2.742) 5.446 11.292 ( -5.200 4.736 -1.535) 7.199 11.916 ( -0.363 -1.178 -1.443) 1.898 12.008 ( -0.882 -4.215 0.804) 4.381 12.047 ( 0.026 2.799 -2.749) 3.923 12.155 ( -2.120 0.921 -3.883) 4.519 12.241 ( 2.620 -5.268 -5.202) 7.853 12.329 ( -1.294 -5.974 -4.036) 7.325 12.378 ( 0.010 -2.245 -2.452) 3.325 12.436 ( -4.457 3.059 -2.640) 6.016 12.471 ( 1.464 2.483 -3.208) 4.312 12.509 ( 0.574 0.135 -6.539) 6.566 12.645 ( -3.248 -2.227 4.588) 6.047 12.769 ( 0.021 -2.439 -0.458) 2.482 12.849 ( -1.183 -4.470 0.613) 4.664 12.943 ( -2.466 -0.189 6.117) 6.598 12.974 ( 4.390 -3.064 -1.908) 5.683 13.049 ( 0.758 0.470 2.711) 2.854 13.128 ( -1.465 1.840 1.927) 3.041 13.178 ( 1.722 0.490 0.023) 1.790 13.382 ( -2.663 -3.741 1.586) 4.858 13.525 ( -2.807 -3.776 3.062) 5.614 13.628 ( 2.713 5.474 -0.590) 6.138 13.699 ( -0.913 2.004 -1.969) 2.954 13.803 ( 6.264 0.931 2.989) 7.003 13.857 ( -0.218 5.030 1.462) 5.243 13.931 ( 2.514 -0.082 5.379) 5.938 13.941 ( 1.378 4.494 -0.418) 4.719 14.070 ( -2.164 0.295 -8.486) 8.763 14.306 ( 1.059 -2.200 -4.120) 4.789 14.525 ( -3.842 0.635 -2.448) 4.600 14.640 ( 1.127 8.635 -8.894) 12.447 14.746 ( 0.142 -1.073 7.873) 7.947 14.948 ( 3.254 2.113 -1.049) 4.019 15.046 ( 0.796 2.482 4.139) 4.892 15.288 ( -0.107 4.337 1.757) 4.680 15.369 ( 1.167 -1.060 0.416) 1.630 15.388 ( -4.156 0.176 -1.645) 4.473 15.434 ( -1.318 4.034 0.069) 4.245 15.493 ( 0.257 2.629 1.497) 3.036 15.727 ( 1.238 2.707 -0.652) 3.048 15.783 ( -1.817 3.889 2.256) 4.849 16.008 ( -0.337 -1.344 6.906) 7.044 16.098 ( -0.063 -2.633 2.231) 3.452 16.323 ( -1.636 3.243 -2.270) 4.284 16.421 ( -0.072 4.014 -2.754) 4.869 16.636 ( -1.010 -10.458 0.455) 10.517 16.882 ( 2.354 -3.709 -3.305) 5.498 16.913 ( 0.965 -2.106 1.350) 2.681 17.027 ( 0.002 -3.746 0.594) 3.793 19.166 ( -0.074 -0.579 1.715) 1.811 19.296 ( -0.200 1.891 -2.102) 2.834 19.404 ( -2.463 -5.311 2.570) 6.394 19.546 ( 1.978 -4.150 0.331) 4.609 20.967 ( -0.479 2.485 0.657) 2.615 21.038 ( 2.531 4.361 -0.284) 5.051 21.106 ( -2.052 0.814 2.877) 3.626 21.164 ( 0.434 0.742 1.267) 1.531 25.036 ( -0.708 0.466 0.277) 0.892 25.069 ( -0.491 -0.393 -1.235) 1.386 25.432 ( 0.264 0.294 -1.282) 1.341 25.565 ( -2.538 -3.575 -4.476) 6.266 25.905 ( 0.247 2.534 2.699) 3.710 25.962 ( 0.612 1.732 2.497) 3.100 26.106 ( -0.248 1.267 -1.528) 2.001 26.125 ( -0.961 0.528 -0.827) 1.373 26.661 ( 2.898 1.161 -2.783) 4.182 26.798 ( 3.167 -1.778 -9.483) 10.154 27.079 ( -0.069 -3.016 -0.571) 3.070 27.142 ( -0.654 -3.621 -5.295) 6.448 27.299 ( -3.472 -1.583 3.145) 4.945 27.325 ( 0.453 -1.722 1.361) 2.241 27.402 ( -2.376 1.109 3.131) 4.084 27.442 ( -2.073 -1.110 2.772) 3.635 27.549 ( -0.899 6.446 1.256) 6.628 27.694 ( -5.825 6.009 -1.588) 8.518 27.845 ( 6.139 -0.559 3.790) 7.236 27.910 ( -2.350 -0.565 -5.470) 5.981 28.004 ( -0.042 4.708 2.197) 5.195 28.134 ( 5.302 0.919 6.956) 8.794 28.269 ( 0.106 0.411 -1.540) 1.597 28.303 ( 0.323 -1.756 -0.574) 1.875 28.387 ( 0.712 -3.400 0.768) 3.557 28.436 ( -2.139 -0.249 4.136) 4.663 28.479 ( -3.428 -1.684 2.684) 4.668 28.597 ( 1.912 -0.547 -0.520) 2.055 28.669 ( 3.437 4.093 -0.799) 5.404 28.876 ( -1.347 5.037 7.575) 9.196 29.135 ( 0.691 -2.506 -5.655) 6.224 29.605 ( 3.642 -5.229 -2.081) 6.704 29.731 ( -1.288 3.508 -7.126) 8.046 29.817 ( -0.396 3.238 -0.776) 3.353 30.017 ( -4.870 -1.861 4.661) 6.993 30.156 ( 4.022 -0.918 0.119) 4.128 30.388 ( -0.419 -3.246 12.662) 13.078 30.821 ( -3.634 -8.440 0.388) 9.197 31.271 ( 0.717 4.371 -8.265) 9.377 31.455 ( 5.129 -1.334 -7.728) 9.371 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -20.751 9.514 4.579) 23.283 1.785 ( -10.065 8.714 3.529) 13.773 1.981 ( 2.467 -6.056 4.550) 7.967 2.028 ( 2.561 0.011 -4.458) 5.141 2.170 ( 9.653 2.112 6.708) 11.944 2.184 ( 8.086 -6.922 0.838) 10.677 2.321 ( 1.952 -2.020 1.578) 3.222 2.413 ( 4.714 2.072 1.079) 5.262 2.532 ( -2.301 -5.400 -2.953) 6.571 2.588 ( 7.626 1.241 7.565) 10.813 2.632 ( 0.330 1.268 1.276) 1.829 2.707 ( 2.509 2.422 -6.835) 7.673 2.745 ( 6.026 -0.529 -0.936) 6.121 2.816 ( -9.564 -0.036 3.548) 10.201 2.862 ( -4.811 2.665 -6.834) 8.772 2.973 ( -11.068 2.797 6.076) 12.932 3.033 ( -3.053 -1.522 -3.198) 4.676 3.087 ( -0.460 -1.828 0.072) 1.886 3.118 ( -10.061 5.110 0.038) 11.284 3.221 ( -2.223 4.958 8.138) 9.786 3.385 ( -8.504 3.144 1.256) 9.153 3.474 ( -6.456 3.431 -5.269) 9.012 3.543 ( 0.536 8.066 -1.942) 8.314 3.635 ( -7.280 0.573 3.377) 8.045 3.763 ( 2.708 0.278 6.160) 6.735 3.811 ( 4.881 1.991 2.583) 5.870 3.920 ( -2.317 1.817 -2.010) 3.565 3.988 ( 3.201 3.234 -4.073) 6.107 4.026 ( -0.722 2.420 1.248) 2.817 4.079 ( -0.858 -2.621 -7.394) 7.892 4.125 ( -2.383 -2.279 -8.820) 9.416 4.182 ( 3.870 3.073 -2.371) 5.480 4.233 ( -0.825 -2.696 -9.014) 9.445 4.307 ( 1.065 -2.600 -0.322) 2.828 4.401 ( 6.996 -2.593 1.341) 7.580 4.448 ( -0.163 -5.937 -1.238) 6.067 4.512 ( -1.470 -4.389 -3.203) 5.629 4.532 ( 0.197 0.581 -1.076) 1.239 4.668 ( 1.923 4.001 2.702) 5.197 4.674 ( 0.383 1.502 -3.911) 4.207 4.803 ( 2.619 -7.051 0.739) 7.558 4.908 ( -0.190 -1.669 5.848) 6.084 4.918 ( 6.263 -1.184 -0.272) 6.379 5.037 ( -1.126 1.005 -3.997) 4.272 5.145 ( 4.048 4.136 2.466) 6.290 5.210 ( 1.640 1.425 -0.411) 2.211 5.316 ( 0.192 0.376 1.466) 1.526 5.331 ( -0.222 2.950 1.591) 3.359 5.401 ( 1.934 1.821 6.553) 7.071 5.429 ( 2.619 -2.883 1.390) 4.136 5.512 ( 0.340 2.013 -0.477) 2.096 5.566 ( -0.767 -1.375 -4.209) 4.494 5.594 ( 2.905 -2.357 1.809) 4.155 5.665 ( 3.470 0.510 -2.087) 4.081 5.840 ( 3.234 -6.674 0.405) 7.427 5.952 ( 1.172 -8.444 -5.167) 9.969 6.025 ( 0.777 0.351 6.964) 7.016 6.056 ( -0.674 -2.416 3.682) 4.455 6.152 ( -2.210 1.990 1.552) 3.355 6.227 ( -1.467 0.036 -6.304) 6.472 6.262 ( -1.844 -0.755 1.904) 2.756 6.335 ( 0.506 -1.675 -0.229) 1.765 6.403 ( 0.657 -0.668 1.588) 1.844 6.446 ( 0.394 -0.959 2.909) 3.088 6.690 ( 1.597 0.780 2.589) 3.140 6.756 ( 1.609 3.928 -0.268) 4.253 6.997 ( -1.920 -2.500 -3.059) 4.393 7.131 ( 4.292 1.504 1.210) 4.706 7.229 ( -0.199 1.013 1.243) 1.616 7.299 ( 0.976 0.977 0.317) 1.417 7.375 ( -0.689 -0.219 -3.378) 3.455 7.476 ( 1.381 2.724 0.287) 3.068 7.654 ( -1.086 0.717 -6.739) 6.864 7.656 ( 1.440 -0.248 -3.666) 3.946 7.778 ( 0.249 -4.619 -0.629) 4.669 7.932 ( 1.954 -5.595 -5.653) 8.191 8.049 ( 0.489 4.734 2.542) 5.396 8.242 ( 1.419 5.002 2.057) 5.591 8.299 ( 2.683 1.752 -1.109) 3.391 8.367 ( 2.017 2.308 -0.833) 3.177 8.473 ( 4.408 2.651 1.692) 5.415 8.532 ( 3.710 -0.179 -0.375) 3.733 8.770 ( 0.960 -4.481 2.847) 5.395 8.801 ( -0.652 -2.467 -1.703) 3.067 8.922 ( 1.937 0.069 -0.165) 1.946 8.974 ( 0.845 3.158 3.081) 4.492 9.048 ( -1.017 6.421 -0.659) 6.535 9.093 ( -6.437 -1.565 7.646) 10.116 9.281 ( -0.023 -1.340 1.502) 2.013 9.349 ( -2.116 5.683 3.492) 6.997 9.430 ( 2.820 -4.375 -2.000) 5.577 9.503 ( -1.963 -1.031 0.076) 2.219 9.667 ( -2.354 -0.481 0.600) 2.477 9.785 ( 1.726 -7.746 -3.700) 8.756 9.926 ( -1.986 -2.942 5.132) 6.240 9.954 ( 1.094 2.691 -0.693) 2.987 10.109 ( 0.001 0.289 -1.066) 1.104 10.218 ( 0.448 3.117 -3.239) 4.518 10.270 ( -0.255 -1.962 3.597) 4.106 10.375 ( -1.280 0.957 1.950) 2.522 10.539 ( -0.763 -4.071 0.155) 4.144 10.694 ( 2.991 -4.708 -3.850) 6.778 10.830 ( -4.532 -5.505 3.287) 7.851 10.978 ( 1.896 -6.754 5.843) 9.130 11.000 ( -0.429 4.770 2.072) 5.219 11.145 ( -2.071 2.281 -6.807) 7.471 11.166 ( 1.651 3.790 5.623) 6.980 11.211 ( -0.217 1.142 0.653) 1.333 11.906 ( 0.661 -1.743 -0.646) 1.973 11.993 ( -3.938 -2.572 1.544) 4.950 12.029 ( 2.357 0.990 -3.932) 4.690 12.078 ( -1.193 1.270 -2.231) 2.831 12.233 ( -2.862 -3.381 -6.369) 7.759 12.251 ( 1.824 -3.218 -5.138) 6.331 12.308 ( -1.268 -1.047 -2.253) 2.790 12.376 ( -0.416 4.162 -1.433) 4.421 12.469 ( 1.010 1.204 -1.307) 2.044 12.500 ( 3.007 3.693 -2.835) 5.542 12.652 ( 0.234 -3.136 1.290) 3.399 12.770 ( 0.076 -3.334 2.312) 4.058 12.820 ( -0.885 -4.271 -1.240) 4.535 12.955 ( -2.325 1.972 4.683) 5.588 13.048 ( 4.946 -4.354 -1.196) 6.697 13.067 ( -1.049 3.097 1.658) 3.666 13.183 ( 1.323 -3.146 1.388) 3.684 13.219 ( 4.056 2.276 3.945) 6.099 13.333 ( -2.903 -4.463 0.169) 5.326 13.472 ( -6.906 -1.867 3.019) 7.765 13.641 ( -0.370 1.992 -2.980) 3.603 13.671 ( -3.578 3.261 1.567) 5.089 13.740 ( -7.080 1.684 -2.151) 7.589 13.847 ( -2.688 3.486 -0.600) 4.443 13.953 ( 3.973 -6.165 -9.396) 11.920 14.080 ( 8.912 -1.252 4.180) 9.923 14.154 ( 8.238 2.921 5.310) 10.227 14.313 ( 4.939 3.074 -3.522) 6.800 14.465 ( 0.324 4.406 -2.229) 4.948 14.557 ( 0.025 5.964 -6.976) 9.178 14.783 ( -3.467 -0.340 4.480) 5.675 14.957 ( -0.398 -0.003 -2.042) 2.080 15.099 ( 0.586 2.751 2.637) 3.855 15.292 ( -2.049 5.598 3.727) 7.031 15.322 ( -0.250 -0.062 -0.774) 0.816 15.408 ( 1.161 2.428 2.483) 3.662 15.440 ( 2.250 4.240 0.387) 4.816 15.521 ( 1.288 1.208 0.732) 1.912 15.714 ( 0.714 2.773 -3.395) 4.441 15.827 ( 2.158 2.517 4.964) 5.969 16.078 ( -0.842 -2.491 8.859) 9.241 16.126 ( -0.137 -3.182 2.977) 4.360 16.245 ( -3.388 5.281 -2.763) 6.856 16.408 ( 1.059 2.783 -2.874) 4.138 16.588 ( -4.575 -6.873 -0.169) 8.258 16.859 ( -0.235 -2.065 -3.716) 4.258 16.936 ( -1.417 -5.052 2.920) 6.005 16.988 ( -4.243 -3.908 -0.924) 5.842 19.175 ( -1.000 -1.629 2.033) 2.790 19.287 ( 1.715 3.101 -1.197) 3.740 19.403 ( -1.085 -6.104 2.793) 6.799 19.592 ( 3.071 -4.912 0.013) 5.793 20.941 ( -2.618 4.342 -0.306) 5.079 21.084 ( 2.841 4.186 0.488) 5.082 21.116 ( -1.583 1.034 3.494) 3.973 21.178 ( 0.461 -0.396 -0.320) 0.687 25.024 ( -0.911 0.073 0.243) 0.946 25.042 ( -1.074 -0.184 -0.944) 1.441 25.417 ( -1.055 -0.289 -0.770) 1.338 25.459 ( -3.321 -0.710 -5.069) 6.102 25.944 ( 0.365 2.684 4.098) 4.912 26.012 ( 1.166 0.798 4.096) 4.332 26.083 ( 0.063 1.143 -2.712) 2.943 26.099 ( -0.516 0.419 -2.120) 2.221 26.673 ( 1.461 -0.260 -3.125) 3.460 26.761 ( 3.291 -2.826 -9.258) 10.224 27.002 ( -4.428 -1.037 -4.267) 6.236 27.126 ( 1.464 -3.799 -0.140) 4.074 27.248 ( -5.021 -1.208 1.996) 5.536 27.331 ( -2.529 -1.878 2.654) 4.119 27.387 ( -4.243 2.467 5.368) 7.274 27.448 ( 0.200 1.561 1.534) 2.198 27.523 ( -2.172 4.490 -0.461) 5.009 27.633 ( -1.302 5.199 3.530) 6.418 27.806 ( -1.749 -0.366 -7.001) 7.225 27.960 ( 3.409 -2.654 2.838) 5.169 28.054 ( 0.767 2.822 5.528) 6.254 28.227 ( -1.443 3.131 -3.002) 4.572 28.249 ( 1.617 1.751 3.683) 4.387 28.302 ( -1.808 -0.436 1.095) 2.158 28.397 ( -2.475 -1.161 1.172) 2.974 28.418 ( 1.232 -0.622 -3.499) 3.762 28.506 ( 4.033 -1.871 0.580) 4.484 28.700 ( 7.123 -2.364 2.639) 7.956 28.764 ( 5.943 0.063 1.937) 6.251 28.940 ( 1.675 0.829 3.594) 4.051 29.143 ( 5.516 1.545 -1.497) 5.921 29.572 ( 2.735 1.396 -13.637) 13.978 29.700 ( -1.917 3.436 4.758) 6.174 29.801 ( -0.384 2.993 -0.993) 3.177 29.977 ( -3.179 -0.929 1.969) 3.854 30.304 ( 9.687 -4.769 3.663) 11.401 30.481 ( -3.847 -6.403 11.639) 13.830 30.727 ( -6.042 -7.236 -0.471) 9.439 31.143 ( -5.270 5.760 -8.112) 11.259 31.449 ( 3.773 -3.462 -9.275) 10.594 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -22.983 14.566 7.701) 28.279 1.372 ( -30.151 10.293 -13.906) 34.762 1.929 ( -10.989 4.234 -10.291) 15.639 1.947 ( -10.090 -6.018 -14.049) 18.314 2.081 ( -4.332 -9.676 -0.379) 10.608 2.133 ( -14.056 6.124 -2.867) 15.598 2.272 ( 1.562 -5.103 -2.614) 5.942 2.401 ( -2.791 -0.329 -0.805) 2.923 2.491 ( -1.562 4.655 -11.672) 12.663 2.520 ( -5.120 -4.078 1.587) 6.735 2.655 ( -1.274 1.988 0.980) 2.557 2.720 ( 0.511 1.660 -2.270) 2.858 2.793 ( 3.433 -0.427 2.775) 4.435 2.835 ( -7.325 -2.292 -0.036) 7.675 2.861 ( 6.166 1.138 8.282) 10.388 2.918 ( 8.013 0.021 -1.941) 8.244 2.996 ( -5.606 3.356 4.234) 7.785 3.019 ( -1.398 -2.376 0.726) 2.851 3.094 ( 1.394 4.888 -4.797) 6.989 3.217 ( -4.032 -0.040 4.278) 5.879 3.296 ( -1.905 10.192 -2.363) 10.635 3.390 ( -0.697 5.250 4.677) 7.066 3.533 ( -4.198 -2.375 0.693) 4.872 3.611 ( 0.615 9.319 5.438) 10.808 3.805 ( -2.421 -2.604 -2.117) 4.139 3.838 ( -4.085 0.927 -5.040) 6.554 3.892 ( -0.445 -1.774 5.179) 5.493 3.933 ( 1.269 -1.400 -5.499) 5.815 3.987 ( -0.060 0.135 3.755) 3.758 4.059 ( -2.555 0.289 -2.048) 3.287 4.154 ( 6.510 -0.111 4.560) 7.949 4.193 ( 0.127 2.730 1.741) 3.241 4.214 ( 2.723 -1.978 0.815) 3.463 4.348 ( 3.598 -3.058 -0.994) 4.826 4.463 ( 2.257 -3.692 1.089) 4.462 4.480 ( 3.090 -4.871 -3.559) 6.778 4.527 ( 2.433 -0.325 -5.094) 5.654 4.574 ( 7.370 -1.653 0.541) 7.573 4.668 ( 3.515 4.141 -3.869) 6.669 4.726 ( 0.730 3.999 4.819) 6.304 4.886 ( 2.279 -2.868 2.464) 4.415 4.942 ( -0.334 -0.258 3.613) 3.637 4.969 ( -0.887 -3.572 -2.594) 4.502 5.009 ( 3.128 1.439 -2.053) 4.008 5.222 ( 1.963 -1.255 0.510) 2.385 5.266 ( 4.564 4.156 0.087) 6.173 5.334 ( 1.578 0.922 4.645) 4.992 5.369 ( 1.152 -0.649 1.613) 2.086 5.441 ( -0.359 -1.783 -3.521) 3.963 5.519 ( 2.708 0.226 5.927) 6.520 5.543 ( 2.182 0.666 1.032) 2.504 5.584 ( 3.892 3.234 3.339) 6.062 5.662 ( 5.012 0.188 -0.580) 5.049 5.743 ( 5.563 -2.070 -1.530) 6.130 5.880 ( 1.629 -4.380 -0.149) 4.675 5.923 ( 1.106 -5.990 -5.349) 8.106 5.942 ( -5.303 -1.876 -3.201) 6.472 6.095 ( -1.083 -3.401 1.307) 3.801 6.141 ( 1.222 2.661 -5.743) 6.447 6.197 ( 0.821 -1.851 4.737) 5.152 6.301 ( -1.319 -0.229 5.914) 6.064 6.351 ( 0.031 -0.433 2.998) 3.029 6.410 ( 0.959 1.026 -0.378) 1.454 6.480 ( 0.315 -0.825 1.358) 1.620 6.725 ( -0.545 0.396 1.377) 1.534 6.799 ( 4.345 2.826 -2.052) 5.575 6.938 ( -1.795 -3.370 -0.224) 3.825 7.167 ( 0.994 4.230 -0.261) 4.353 7.220 ( -0.080 -5.116 -7.109) 8.759 7.319 ( 1.338 -0.000 -1.621) 2.102 7.356 ( -1.240 6.252 2.528) 6.857 7.506 ( 3.223 3.779 -3.162) 5.888 7.569 ( 1.155 0.425 -4.016) 4.201 7.667 ( -0.131 0.030 -0.373) 0.396 7.776 ( -0.432 -1.100 0.533) 1.297 7.865 ( -0.351 -3.859 -6.873) 7.890 8.128 ( -0.267 3.913 7.378) 8.356 8.292 ( 3.952 -1.136 -0.329) 4.125 8.355 ( 3.599 3.554 0.301) 5.067 8.404 ( 3.466 0.390 -0.699) 3.557 8.553 ( 4.532 4.414 -3.763) 7.361 8.594 ( 3.422 -0.469 3.762) 5.107 8.770 ( -1.016 -5.838 -0.104) 5.926 8.842 ( 5.794 -0.651 -1.485) 6.016 8.950 ( -4.215 3.378 1.759) 5.681 8.970 ( 2.383 -0.493 -1.132) 2.684 9.038 ( -6.528 -0.036 4.958) 8.197 9.068 ( 3.888 5.571 -2.383) 7.199 9.297 ( -1.161 1.362 3.149) 3.622 9.320 ( -2.913 0.843 0.684) 3.109 9.441 ( -0.397 -6.256 -1.345) 6.411 9.501 ( 0.138 1.187 1.358) 1.809 9.651 ( -0.718 -5.432 1.404) 5.656 9.766 ( 1.072 -9.375 -4.067) 10.275 9.886 ( -6.322 0.989 1.433) 6.557 9.960 ( -0.437 -0.028 -0.157) 0.465 10.074 ( -0.358 -0.784 -3.678) 3.778 10.213 ( 0.618 0.151 -0.996) 1.182 10.278 ( 0.212 -0.497 -1.485) 1.580 10.359 ( -2.936 0.389 2.725) 4.024 10.530 ( -1.203 -1.677 1.289) 2.434 10.705 ( 2.090 -2.806 -1.978) 4.019 10.763 ( -3.093 -5.597 -1.408) 6.548 10.894 ( -5.652 -0.984 -0.234) 5.741 11.028 ( -2.496 0.744 -4.652) 5.331 11.174 ( -0.062 -4.248 -0.442) 4.271 11.181 ( 5.968 3.065 6.576) 9.395 11.345 ( 3.968 0.437 8.157) 9.081 11.877 ( -6.098 -1.458 0.946) 6.341 11.932 ( -0.700 1.950 0.585) 2.153 12.036 ( 1.342 -2.137 -0.633) 2.602 12.097 ( 3.772 1.550 -1.082) 4.219 12.150 ( 0.708 3.606 -3.950) 5.395 12.252 ( -0.213 -2.350 1.308) 2.698 12.271 ( 0.517 1.158 -2.555) 2.852 12.371 ( 0.813 4.823 -0.183) 4.894 12.488 ( 1.227 1.119 0.280) 1.684 12.545 ( 3.570 3.319 -1.742) 5.176 12.666 ( 1.959 -4.020 0.375) 4.488 12.799 ( -0.823 -1.273 1.535) 2.157 12.845 ( 3.569 -8.415 2.152) 9.391 12.957 ( -0.264 4.279 1.308) 4.483 13.074 ( -1.516 3.791 3.984) 5.704 13.104 ( 1.457 -4.049 -1.061) 4.432 13.158 ( -2.348 0.550 1.308) 2.743 13.291 ( -3.030 -3.719 -0.229) 4.803 13.355 ( -4.004 2.020 0.523) 4.515 13.386 ( 4.635 -2.723 3.434) 6.379 13.513 ( -9.215 -1.916 -1.517) 9.533 13.564 ( -4.789 0.123 -2.637) 5.468 13.706 ( 0.450 1.161 -2.235) 2.559 13.790 ( -1.364 6.979 0.358) 7.120 13.933 ( 5.981 -6.654 -11.047) 14.216 14.226 ( 4.262 -6.305 2.253) 7.937 14.305 ( 4.974 6.009 -0.968) 7.861 14.367 ( 3.662 9.174 -3.964) 10.644 14.458 ( 1.432 2.908 0.744) 3.326 14.607 ( 4.813 -0.826 5.177) 7.117 14.731 ( -3.681 3.449 0.118) 5.046 14.910 ( -0.402 2.197 -4.239) 4.791 15.114 ( 1.524 3.640 -2.465) 4.653 15.293 ( -0.883 4.716 1.500) 5.027 15.350 ( 1.790 -0.402 0.994) 2.087 15.433 ( 0.383 4.975 1.175) 5.126 15.544 ( 0.587 1.235 4.050) 4.275 15.556 ( 4.532 2.465 4.494) 6.842 15.705 ( 3.069 0.396 -3.620) 4.762 15.933 ( 3.444 -1.195 4.934) 6.134 16.120 ( -3.235 -1.385 1.525) 3.835 16.145 ( 0.136 -2.002 2.831) 3.471 16.201 ( -1.080 -1.866 3.930) 4.482 16.399 ( 2.138 2.584 -4.149) 5.335 16.502 ( -4.967 -0.029 2.318) 5.481 16.825 ( -1.478 -2.296 1.088) 2.939 16.873 ( -6.832 -3.741 -2.229) 8.102 16.911 ( -4.185 -3.140 1.865) 5.554 19.182 ( -0.002 -1.254 1.468) 1.931 19.330 ( 3.007 0.984 0.663) 3.232 19.410 ( -1.999 -7.364 3.017) 8.205 19.648 ( 3.751 -5.039 -0.736) 6.324 20.886 ( -2.639 5.286 -1.014) 5.995 21.096 ( -3.634 2.751 1.305) 4.741 21.131 ( 0.135 0.254 2.274) 2.292 21.175 ( 1.744 1.039 -3.246) 3.828 25.010 ( -1.256 -0.536 1.397) 1.953 25.031 ( -0.437 -0.260 1.874) 1.942 25.345 ( -3.473 1.009 -2.422) 4.352 25.407 ( -1.842 -0.496 1.177) 2.241 25.999 ( 1.041 3.340 4.410) 5.630 26.052 ( 0.460 1.167 -3.770) 3.973 26.062 ( -0.073 0.861 -2.844) 2.972 26.081 ( 0.642 0.114 4.744) 4.788 26.635 ( -1.955 -1.187 -3.658) 4.314 26.706 ( 1.289 -4.802 -10.377) 11.507 26.930 ( -0.088 2.991 -1.526) 3.359 27.144 ( -1.369 -2.161 1.742) 3.095 27.188 ( -3.739 -3.098 3.150) 5.787 27.292 ( -5.722 -2.049 4.824) 7.760 27.365 ( -4.251 2.998 3.903) 6.503 27.464 ( 0.464 3.492 0.835) 3.620 27.513 ( 0.013 -1.176 1.618) 2.000 27.697 ( 2.798 9.342 5.014) 10.965 27.722 ( 0.362 -1.741 -4.824) 5.141 28.016 ( -0.165 -3.183 0.753) 3.275 28.111 ( 0.112 2.259 2.456) 3.339 28.174 ( -1.387 1.942 -2.456) 3.424 28.222 ( -2.909 4.225 -2.185) 5.576 28.298 ( 0.657 3.687 1.785) 4.149 28.390 ( 2.423 0.396 -5.820) 6.317 28.428 ( 1.806 -3.939 2.282) 4.898 28.588 ( 5.212 -0.882 -0.273) 5.293 28.788 ( 0.794 -6.830 1.107) 6.965 28.880 ( 5.543 -1.632 2.488) 6.291 29.066 ( 9.681 -1.327 1.386) 9.869 29.264 ( 6.503 5.117 2.003) 8.514 29.489 ( 2.890 7.029 -11.364) 13.671 29.705 ( -2.723 0.790 3.821) 4.758 29.785 ( -0.165 1.237 -1.518) 1.965 29.959 ( -0.861 2.309 1.042) 2.676 30.417 ( -11.890 -10.460 4.758) 16.535 30.505 ( 7.410 -5.717 0.918) 9.404 30.685 ( -0.033 -8.021 3.719) 8.842 30.956 ( -7.625 8.145 -5.397) 12.394 31.386 ( 0.205 -6.034 -11.366) 12.870 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -22.911 16.671 -5.144) 28.798 0.884 ( -18.958 21.538 13.435) 31.682 1.579 ( -35.433 29.670 28.065) 54.069 1.647 ( -4.944 -12.532 -2.019) 13.622 1.952 ( 6.613 -2.303 -14.563) 16.160 2.133 ( 3.578 -9.266 -4.156) 10.767 2.261 ( -0.641 6.368 -6.205) 8.914 2.266 ( -2.676 -7.473 1.276) 8.040 2.410 ( -0.551 -3.534 -1.466) 3.865 2.481 ( 1.393 -1.879 -5.362) 5.850 2.608 ( -0.257 0.739 -2.130) 2.269 2.711 ( -0.103 -2.075 -0.952) 2.285 2.752 ( 1.139 -1.521 -4.074) 4.495 2.858 ( -3.185 7.009 -0.878) 7.748 2.904 ( -2.177 4.500 3.878) 6.327 2.970 ( 0.934 -3.121 4.232) 5.341 3.009 ( -1.339 -1.084 0.934) 1.959 3.034 ( -0.457 0.255 2.419) 2.475 3.109 ( 2.896 1.520 1.486) 3.593 3.219 ( 1.658 -1.456 -0.408) 2.244 3.273 ( 1.427 8.990 -1.225) 9.184 3.406 ( -2.555 4.191 0.994) 5.008 3.509 ( 0.879 0.148 1.248) 1.534 3.639 ( -4.028 4.629 3.826) 7.232 3.677 ( -2.808 -3.295 -3.884) 5.816 3.807 ( -0.421 -0.866 0.661) 1.168 3.891 ( -1.235 -3.488 -0.837) 3.794 3.964 ( -1.298 0.684 6.089) 6.263 4.024 ( 0.409 2.636 1.085) 2.880 4.049 ( 1.526 -0.779 3.077) 3.522 4.214 ( -0.503 1.748 1.648) 2.454 4.260 ( -0.242 -2.547 2.365) 3.484 4.279 ( 4.330 -0.502 0.769) 4.426 4.392 ( 2.336 2.364 -2.081) 3.921 4.459 ( 0.738 -3.982 -3.775) 5.536 4.495 ( 3.163 -1.838 -8.003) 8.800 4.564 ( 3.524 -4.310 1.872) 5.873 4.657 ( 3.459 3.802 -1.391) 5.325 4.706 ( 2.360 0.403 -2.344) 3.350 4.771 ( 0.883 4.850 0.958) 5.022 4.901 ( -0.230 0.436 1.398) 1.482 4.929 ( -1.567 1.195 0.531) 2.041 5.006 ( 2.684 0.253 1.849) 3.269 5.031 ( 2.253 -4.066 -1.475) 4.877 5.246 ( -1.093 -1.957 -1.686) 2.805 5.287 ( -0.158 -0.799 -5.977) 6.032 5.351 ( 4.048 1.369 -1.100) 4.413 5.417 ( -0.038 0.927 3.571) 3.690 5.459 ( 0.239 1.524 0.635) 1.669 5.513 ( -3.031 0.790 0.048) 3.133 5.603 ( -2.967 2.676 1.417) 4.239 5.693 ( 4.829 -3.176 2.073) 6.140 5.724 ( 2.296 -3.172 -2.309) 4.546 5.778 ( 2.358 -2.593 -2.479) 4.293 5.866 ( 1.348 -0.783 -1.714) 2.317 5.909 ( 2.678 -2.859 -2.021) 4.408 5.970 ( 5.038 -4.698 3.260) 7.621 6.072 ( -0.667 -3.374 -2.481) 4.241 6.123 ( 1.066 1.751 -2.724) 3.409 6.221 ( -1.344 -1.848 2.152) 3.139 6.313 ( -1.190 1.192 0.963) 1.940 6.360 ( -0.646 2.631 2.400) 3.620 6.453 ( 2.771 0.604 -1.478) 3.198 6.507 ( 0.738 1.249 2.829) 3.179 6.705 ( -0.822 0.667 -1.529) 1.860 6.859 ( 5.255 0.923 -1.743) 5.613 6.916 ( -5.983 -6.808 2.430) 9.384 7.067 ( -2.988 -1.017 -9.245) 9.769 7.226 ( 4.841 4.204 2.866) 7.023 7.278 ( -2.765 3.142 -1.525) 4.454 7.368 ( 1.614 5.509 -2.770) 6.373 7.516 ( 0.079 3.211 -1.484) 3.538 7.606 ( 2.322 0.254 1.531) 2.793 7.652 ( 0.811 0.165 -0.878) 1.207 7.782 ( -1.301 2.452 2.449) 3.702 7.837 ( 2.168 -2.677 1.270) 3.671 8.164 ( -2.959 4.809 9.130) 10.735 8.350 ( 1.318 -2.695 -0.020) 3.000 8.411 ( 5.064 2.239 -0.789) 5.593 8.488 ( 4.592 1.305 0.844) 4.848 8.588 ( 1.910 6.542 -1.080) 6.900 8.685 ( 3.516 -1.154 1.698) 4.072 8.801 ( 7.698 -7.865 -3.266) 11.479 8.855 ( -5.256 1.778 0.185) 5.552 8.887 ( -1.894 4.897 -0.980) 5.341 8.975 ( -2.858 -0.571 1.076) 3.107 9.021 ( 2.653 -2.831 -0.585) 3.924 9.118 ( 5.179 2.598 -4.089) 7.092 9.260 ( -1.697 4.220 -0.939) 4.645 9.320 ( -1.704 -3.913 0.634) 4.314 9.394 ( -2.617 -6.211 -0.191) 6.742 9.517 ( 0.305 1.489 1.253) 1.970 9.570 ( -9.977 -8.219 -1.933) 13.070 9.750 ( -3.228 -0.733 -0.772) 3.399 9.808 ( 1.054 -5.020 -1.458) 5.332 9.945 ( -0.635 -0.397 1.815) 1.964 10.055 ( 3.018 0.660 -4.475) 5.437 10.204 ( -2.100 -4.488 1.738) 5.251 10.269 ( 0.807 0.281 -1.439) 1.674 10.330 ( -2.962 0.291 1.931) 3.548 10.523 ( -1.576 0.525 3.002) 3.431 10.718 ( -0.062 -4.966 -1.925) 5.326 10.739 ( 2.493 -1.858 1.019) 3.272 10.836 ( -2.499 -3.676 2.957) 5.339 10.972 ( 0.097 1.208 -2.005) 2.343 11.142 ( -0.428 -3.804 -4.748) 6.099 11.297 ( 2.075 0.368 0.757) 2.240 11.404 ( -2.622 -0.429 0.281) 2.671 11.843 ( -3.987 -1.962 9.815) 10.774 11.934 ( -0.687 1.454 0.522) 1.691 12.074 ( 1.718 -3.343 1.769) 4.154 12.117 ( 0.814 3.824 2.633) 4.714 12.185 ( 3.407 -1.435 -2.540) 4.486 12.276 ( 3.284 4.099 2.972) 6.035 12.302 ( 0.707 2.722 2.920) 4.054 12.400 ( 1.407 3.981 -0.019) 4.223 12.496 ( -0.666 1.738 1.167) 2.197 12.573 ( 3.816 4.889 -3.042) 6.908 12.758 ( 6.190 -4.535 1.492) 7.817 12.789 ( -2.104 -4.022 0.559) 4.574 12.877 ( 0.998 -5.816 -2.962) 6.603 13.022 ( -0.732 3.818 2.488) 4.615 13.062 ( 3.938 2.258 -1.545) 4.795 13.074 ( -2.361 -0.584 3.434) 4.208 13.150 ( -5.183 2.326 1.432) 5.859 13.225 ( -0.270 2.512 -0.256) 2.540 13.298 ( -2.727 0.130 2.104) 3.446 13.366 ( -4.480 -2.158 1.190) 5.113 13.453 ( -2.989 -0.926 -0.329) 3.146 13.570 ( 8.653 -2.492 -0.824) 9.042 13.684 ( 1.110 2.157 -1.550) 2.879 13.830 ( 3.020 5.772 1.680) 6.728 13.931 ( 4.890 -5.946 -8.817) 11.705 14.254 ( -3.130 -5.965 1.760) 6.963 14.317 ( 0.544 6.117 -0.578) 6.168 14.382 ( -2.326 7.638 -1.844) 8.195 14.503 ( 4.374 3.449 -1.560) 5.785 14.636 ( -1.014 5.958 -2.157) 6.417 14.753 ( 0.666 -1.482 3.660) 4.004 14.903 ( 5.060 -0.413 -4.766) 6.963 15.108 ( 3.306 5.555 -7.143) 9.634 15.296 ( 0.511 4.974 -0.150) 5.002 15.365 ( 0.464 0.578 -2.381) 2.494 15.459 ( 0.209 4.160 2.268) 4.742 15.566 ( 1.021 0.964 0.100) 1.408 15.595 ( -3.351 5.361 -0.889) 6.384 15.816 ( 5.912 -4.338 5.842) 9.375 16.000 ( 1.323 -3.378 -0.298) 3.640 16.062 ( -2.343 -3.945 -1.587) 4.855 16.165 ( -2.182 -2.431 2.440) 4.077 16.228 ( -0.364 -7.699 3.653) 8.530 16.358 ( -0.466 -2.012 -5.603) 5.972 16.536 ( 3.393 3.414 2.658) 5.499 16.732 ( -6.385 -2.325 -2.185) 7.138 16.794 ( -4.022 0.483 -0.932) 4.157 16.900 ( -0.510 -3.029 2.707) 4.095 19.189 ( -1.757 -1.787 -0.225) 2.516 19.316 ( -7.215 -1.100 -2.717) 7.788 19.411 ( 1.428 -5.348 1.505) 5.737 19.687 ( 2.900 -5.839 -4.810) 8.102 20.853 ( -0.652 5.663 0.962) 5.781 21.035 ( -3.107 3.377 -0.938) 4.684 21.121 ( 0.064 -2.248 0.948) 2.440 21.200 ( 0.645 0.574 3.155) 3.271 25.011 ( -1.068 -0.497 1.945) 2.274 25.084 ( 1.532 -4.896 6.275) 8.105 25.301 ( -1.055 1.650 2.023) 2.816 25.399 ( -2.578 -2.174 5.097) 6.112 26.001 ( 0.349 1.917 -4.942) 5.312 26.027 ( 0.154 0.950 -1.989) 2.210 26.099 ( 3.466 3.905 2.737) 5.895 26.151 ( 2.135 0.573 5.335) 5.775 26.503 ( -7.497 -1.631 -7.419) 10.673 26.635 ( 1.054 -0.895 -3.881) 4.120 26.939 ( 1.078 4.018 0.402) 4.179 27.107 ( -2.765 0.475 0.161) 2.810 27.160 ( -6.449 -1.418 3.446) 7.448 27.267 ( -2.403 -7.102 5.554) 9.331 27.331 ( -1.879 1.776 1.735) 3.113 27.474 ( -0.080 1.598 -0.584) 1.703 27.511 ( -1.445 -0.289 -0.072) 1.475 27.688 ( 1.383 -2.319 -2.430) 3.633 27.907 ( -6.152 3.111 -6.795) 9.680 27.932 ( 12.129 7.597 11.108) 18.116 28.105 ( 0.561 0.536 -2.549) 2.664 28.164 ( 0.719 3.121 1.241) 3.434 28.216 ( 1.990 3.779 0.066) 4.271 28.298 ( -0.606 7.745 0.220) 7.772 28.413 ( 4.653 -2.143 -3.240) 6.061 28.475 ( 1.093 -5.987 1.538) 6.278 28.677 ( 4.435 -1.198 1.818) 4.941 28.807 ( 0.919 -10.323 1.729) 10.507 29.025 ( 5.639 0.169 7.028) 9.012 29.241 ( 9.475 -0.664 -0.268) 9.503 29.339 ( 1.161 2.007 -4.150) 4.754 29.491 ( 7.397 11.160 0.725) 13.408 29.659 ( -3.637 -5.486 -9.057) 11.196 29.755 ( -3.313 1.222 2.286) 4.206 29.941 ( -3.887 4.094 2.913) 6.353 30.216 ( -12.224 -8.954 2.950) 15.437 30.570 ( 2.169 -3.546 -2.736) 4.977 30.718 ( -2.446 -5.006 2.083) 5.949 30.840 ( 0.365 4.806 -1.539) 5.060 31.201 ( -7.910 -3.738 -12.223) 15.032 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 14.033 16.638 23.239) 31.840 1.325 ( 2.723 25.367 10.134) 27.452 1.526 ( 13.572 -15.008 17.449) 26.719 1.734 ( 4.064 -16.885 3.002) 17.624 2.024 ( -1.963 11.288 12.385) 16.872 2.082 ( 2.193 0.949 0.967) 2.578 2.261 ( 2.695 4.442 -2.440) 5.740 2.292 ( -1.808 5.949 6.224) 8.797 2.378 ( 3.231 -4.611 -0.382) 5.643 2.486 ( -2.487 -1.764 1.740) 3.511 2.607 ( 2.827 1.516 6.509) 7.256 2.675 ( 1.217 -3.126 -6.996) 7.759 2.750 ( 3.129 0.389 1.645) 3.557 2.789 ( -5.331 -3.291 -3.684) 7.268 2.914 ( -1.408 2.636 -1.900) 3.541 2.957 ( -2.381 4.313 1.844) 5.260 2.992 ( -1.589 -3.930 -0.338) 4.253 3.042 ( -0.699 -1.516 2.575) 3.069 3.220 ( 1.531 1.966 -4.510) 5.152 3.245 ( 1.211 4.252 0.684) 4.473 3.295 ( 0.266 -1.264 -5.393) 5.546 3.349 ( -2.266 -10.167 5.404) 11.734 3.526 ( -3.015 4.105 3.354) 6.099 3.602 ( -3.369 1.081 5.948) 6.920 3.702 ( 3.208 -4.662 4.324) 7.122 3.707 ( 2.275 -2.789 2.099) 4.167 3.911 ( -1.001 8.287 -3.746) 9.150 4.019 ( -2.603 -2.487 -2.476) 4.369 4.132 ( 0.665 7.519 4.645) 8.863 4.162 ( -1.665 7.779 0.446) 7.967 4.204 ( 2.550 1.404 -2.462) 3.813 4.248 ( -2.351 -1.437 -3.689) 4.604 4.278 ( 2.004 -1.469 -3.366) 4.183 4.330 ( -0.165 -6.025 -1.352) 6.178 4.419 ( 0.566 0.305 -0.980) 1.172 4.478 ( -0.133 -2.933 -2.009) 3.557 4.565 ( 2.384 3.393 -1.822) 4.530 4.627 ( -1.111 -0.730 -6.854) 6.981 4.691 ( -1.526 -0.213 -2.732) 3.137 4.781 ( -0.786 -8.022 -1.836) 8.267 4.903 ( -0.084 1.305 -1.392) 1.910 4.934 ( 0.375 -2.819 -2.611) 3.860 5.031 ( -0.851 4.152 1.895) 4.642 5.063 ( 2.832 1.206 1.124) 3.277 5.177 ( -0.352 2.989 -3.091) 4.314 5.243 ( 3.101 -3.166 -1.936) 4.837 5.413 ( -3.539 1.409 -0.037) 3.809 5.438 ( -3.701 -1.547 1.269) 4.207 5.477 ( -3.534 3.020 -2.444) 5.252 5.492 ( 0.861 3.274 -2.153) 4.012 5.558 ( -2.153 0.005 -3.801) 4.368 5.620 ( -4.089 4.504 -2.331) 6.515 5.627 ( 0.649 -5.894 -1.801) 6.197 5.761 ( -1.614 -8.366 -3.180) 9.094 5.819 ( 2.881 2.524 -1.242) 4.027 5.895 ( 4.395 -4.583 -1.950) 6.643 6.002 ( 2.978 1.935 -1.283) 3.776 6.037 ( 1.345 -1.141 -3.805) 4.194 6.091 ( -2.713 -0.537 0.105) 2.767 6.144 ( -0.528 -5.667 0.650) 5.728 6.355 ( -2.244 3.214 -2.494) 4.646 6.394 ( -0.626 -0.214 -4.956) 5.000 6.464 ( -0.096 0.814 2.983) 3.093 6.489 ( 0.495 -1.276 3.548) 3.803 6.762 ( -2.717 0.957 5.871) 6.539 6.789 ( -2.251 -2.038 6.692) 7.348 6.976 ( 4.380 3.664 0.718) 5.755 7.047 ( 4.978 -3.365 0.830) 6.066 7.300 ( 0.145 4.030 -0.423) 4.055 7.348 ( 2.597 -1.468 1.337) 3.269 7.446 ( 1.400 3.909 -4.886) 6.412 7.483 ( -0.293 -0.513 -3.693) 3.740 7.652 ( -0.390 0.551 3.243) 3.312 7.677 ( 1.252 -2.009 1.822) 2.987 7.824 ( -1.427 2.551 3.158) 4.303 7.865 ( 1.047 -1.974 1.751) 2.839 8.242 ( -4.439 2.979 6.159) 8.155 8.308 ( -2.604 -2.933 2.398) 4.597 8.555 ( -1.213 3.475 -0.766) 3.759 8.608 ( 3.939 -1.336 0.601) 4.202 8.711 ( 1.958 3.828 0.026) 4.300 8.743 ( 0.975 3.307 -4.928) 6.014 8.770 ( -3.058 0.570 0.389) 3.135 8.788 ( -3.222 -1.070 -3.022) 4.545 8.845 ( 7.760 -1.946 -0.564) 8.020 8.951 ( 3.500 -7.216 -0.843) 8.064 8.995 ( -2.357 6.197 0.000) 6.630 9.115 ( -2.802 -7.254 0.743) 7.812 9.220 ( 2.757 5.372 -4.087) 7.291 9.278 ( -2.485 0.407 -3.287) 4.140 9.382 ( 0.053 5.029 1.117) 5.151 9.489 ( -0.573 2.806 2.261) 3.649 9.541 ( 1.128 -3.414 0.417) 3.619 9.598 ( 0.535 -10.626 -0.414) 10.647 9.827 ( -0.830 7.293 0.354) 7.349 9.938 ( -0.043 -4.248 2.600) 4.981 10.068 ( 3.405 -0.673 -3.464) 4.904 10.088 ( 0.032 -3.342 -2.078) 3.935 10.255 ( -2.553 1.299 3.244) 4.328 10.301 ( -0.701 -2.868 1.355) 3.248 10.565 ( 0.582 3.352 2.180) 4.041 10.655 ( 0.762 -4.682 1.481) 4.969 10.722 ( -1.183 -0.588 1.870) 2.289 10.773 ( 0.242 -4.017 0.952) 4.136 11.037 ( 2.925 2.498 1.379) 4.087 11.075 ( 3.170 -1.561 0.339) 3.550 11.274 ( -3.424 2.029 -4.023) 5.659 11.317 ( -3.628 -1.754 -4.225) 5.839 11.856 ( -1.166 2.134 3.368) 4.155 11.918 ( 0.645 -3.771 0.013) 3.825 12.039 ( -2.085 1.980 1.537) 3.260 12.114 ( -0.292 -5.007 -1.407) 5.209 12.321 ( 0.353 4.422 2.912) 5.307 12.371 ( -3.553 -1.146 1.415) 3.993 12.416 ( 1.772 5.212 4.511) 7.117 12.479 ( 4.890 1.097 5.187) 7.213 12.564 ( -0.534 3.770 -0.237) 3.815 12.610 ( -0.117 -0.207 -1.583) 1.601 12.700 ( 0.768 -4.479 0.131) 4.546 12.720 ( -0.736 -2.122 2.356) 3.255 12.856 ( 0.131 2.137 -3.606) 4.194 12.928 ( -5.262 -5.130 -2.218) 7.676 13.060 ( 1.203 4.924 0.793) 5.130 13.101 ( 0.012 1.632 1.132) 1.986 13.153 ( -1.812 -0.901 -0.464) 2.076 13.200 ( -3.327 -3.845 2.908) 5.857 13.328 ( 2.167 3.083 0.684) 3.830 13.393 ( 3.898 -4.264 3.359) 6.683 13.489 ( -2.691 4.184 1.739) 5.270 13.590 ( -4.890 -6.255 -0.754) 7.975 13.764 ( 7.777 3.816 -3.662) 9.405 13.815 ( 4.945 -2.668 -3.767) 6.765 14.015 ( 3.856 3.399 6.135) 8.004 14.101 ( -0.789 -6.066 5.015) 7.910 14.444 ( -0.425 6.231 -2.937) 6.901 14.494 ( -1.113 10.521 0.973) 10.625 14.532 ( -2.095 -0.998 -4.991) 5.504 14.687 ( -0.357 -7.571 1.000) 7.645 14.725 ( -0.335 7.368 -6.410) 9.772 14.851 ( 0.279 -5.845 -4.860) 7.607 15.233 ( 3.890 6.664 -5.904) 9.716 15.306 ( -1.116 -0.953 -4.164) 4.415 15.396 ( 1.895 3.010 -0.784) 3.643 15.446 ( -0.574 -2.069 -1.642) 2.703 15.654 ( 1.067 7.645 0.195) 7.721 15.679 ( -3.270 6.821 0.484) 7.579 15.765 ( -7.264 0.531 -2.815) 7.808 15.855 ( 0.684 -10.909 -3.300) 11.418 16.016 ( -1.107 -1.251 6.581) 6.789 16.064 ( -1.797 -6.801 3.526) 7.869 16.183 ( 0.394 5.142 0.030) 5.157 16.282 ( 2.368 -4.549 -2.114) 5.547 16.613 ( 0.251 1.144 0.392) 1.236 16.628 ( 1.674 -0.449 -0.875) 1.941 16.785 ( -2.079 1.614 -3.483) 4.366 16.794 ( -2.875 0.762 -4.378) 5.293 19.164 ( -3.015 5.983 0.184) 6.703 19.272 ( -2.379 -3.529 -2.675) 5.027 19.388 ( 2.415 3.447 0.042) 4.209 19.520 ( 1.697 -8.718 -4.110) 9.787 20.984 ( 0.682 6.951 2.286) 7.349 21.052 ( -1.574 3.243 -0.031) 3.605 21.116 ( 3.768 -4.745 1.704) 6.294 21.141 ( -3.205 -4.732 1.709) 5.965 25.021 ( -0.462 0.763 2.360) 2.522 25.046 ( -1.145 -2.431 3.816) 4.667 25.331 ( -0.108 0.735 2.242) 2.362 25.355 ( -0.961 -1.920 2.195) 3.071 26.006 ( -0.019 2.205 -3.175) 3.865 26.023 ( -0.153 0.380 -2.594) 2.626 26.158 ( -0.910 0.767 1.755) 2.121 26.169 ( -1.306 -0.078 0.249) 1.331 26.572 ( 6.407 2.385 4.653) 8.270 26.628 ( 4.097 -3.334 2.113) 5.689 27.027 ( -0.272 2.140 -0.044) 2.158 27.050 ( -2.390 -0.738 -1.796) 3.079 27.097 ( -2.424 3.574 1.661) 4.627 27.188 ( -1.851 -6.001 5.230) 8.172 27.357 ( -1.595 4.276 -1.529) 4.813 27.431 ( -0.757 -3.400 -2.248) 4.145 27.555 ( 1.303 5.387 0.460) 5.562 27.644 ( 2.010 -3.665 0.239) 4.187 27.859 ( -3.563 4.478 -2.857) 6.396 27.945 ( -3.403 -4.901 -1.363) 6.121 28.192 ( 0.971 4.615 -0.448) 4.737 28.240 ( -1.154 4.388 -0.822) 4.610 28.284 ( -0.759 -5.721 0.884) 5.839 28.327 ( -0.613 -2.522 1.481) 2.988 28.382 ( -0.131 1.608 -0.223) 1.628 28.442 ( 1.105 -1.631 0.714) 2.095 28.698 ( 1.536 -0.100 0.184) 1.551 28.754 ( 1.414 -5.499 0.243) 5.683 29.157 ( -5.905 7.585 1.788) 9.778 29.291 ( -4.627 -6.271 -0.874) 7.842 29.399 ( 7.195 3.158 -3.693) 8.682 29.438 ( 5.593 -0.502 -3.662) 6.704 29.745 ( 1.210 2.340 4.676) 5.367 29.789 ( 6.818 -2.268 4.389) 8.420 29.980 ( -3.558 3.018 4.885) 6.755 30.040 ( -3.935 -3.840 5.373) 7.687 30.635 ( 0.663 1.957 -0.212) 2.077 30.671 ( -1.005 -1.375 0.071) 1.705 30.881 ( 1.417 2.949 -4.850) 5.850 30.962 ( 4.148 -5.043 -6.946) 9.533 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 8.965 21.720 6.159) 24.291 1.643 ( 2.248 16.023 15.687) 22.536 1.822 ( 8.986 -9.629 -0.321) 13.175 1.963 ( 4.780 -12.526 10.284) 16.897 2.137 ( 8.213 3.084 -6.084) 10.676 2.206 ( 7.239 -4.230 -4.622) 9.574 2.328 ( -0.929 3.880 -0.415) 4.011 2.389 ( 3.741 3.629 4.871) 7.134 2.400 ( 1.274 -0.883 3.829) 4.131 2.413 ( -5.605 -4.354 1.524) 7.260 2.557 ( -5.721 -1.561 -6.828) 9.044 2.589 ( -0.788 -6.286 1.216) 6.450 2.743 ( -1.313 6.796 1.879) 7.173 2.843 ( -0.796 -0.583 2.888) 3.052 2.924 ( 1.365 2.520 5.257) 5.988 2.929 ( -3.874 -0.202 3.739) 5.387 2.987 ( 2.355 3.080 4.628) 6.038 3.065 ( 1.661 -0.560 1.208) 2.129 3.142 ( 1.097 0.962 -10.268) 10.371 3.222 ( 3.570 -6.339 -9.481) 11.951 3.324 ( 1.999 5.884 4.144) 7.469 3.397 ( -0.537 1.187 6.338) 6.471 3.535 ( -0.182 0.346 4.085) 4.104 3.610 ( 2.078 -6.774 2.001) 7.363 3.838 ( 2.918 3.859 0.686) 4.887 3.851 ( -0.478 2.766 5.393) 6.080 3.903 ( 7.860 -2.732 6.242) 10.402 3.931 ( 0.733 1.559 -4.940) 5.231 4.024 ( -4.332 1.893 -7.835) 9.151 4.090 ( -2.275 -2.854 -4.437) 5.745 4.181 ( -1.933 6.881 2.607) 7.608 4.269 ( -0.544 1.742 0.820) 2.001 4.304 ( 0.545 3.350 1.119) 3.573 4.348 ( 4.200 -0.791 1.342) 4.480 4.405 ( -0.972 -0.605 -0.729) 1.357 4.425 ( -2.391 -2.121 -3.836) 4.993 4.496 ( -0.430 3.318 -6.881) 7.651 4.585 ( -0.186 -6.375 -3.830) 7.439 4.687 ( -0.746 -2.328 3.759) 4.484 4.741 ( -2.506 -6.728 -0.286) 7.185 4.884 ( 0.139 1.967 -1.090) 2.253 4.912 ( -0.078 -1.639 -0.731) 1.796 5.049 ( -1.397 0.879 3.582) 3.944 5.063 ( -3.546 -0.022 1.756) 3.957 5.195 ( 2.190 5.856 0.831) 6.307 5.241 ( 0.909 0.708 -6.447) 6.549 5.305 ( -5.192 1.420 -4.546) 7.046 5.333 ( -3.382 -1.094 -4.360) 5.625 5.416 ( -2.113 3.739 -1.193) 4.458 5.471 ( -1.213 -2.413 -0.911) 2.851 5.511 ( 0.131 3.581 -2.342) 4.280 5.561 ( -1.492 2.437 0.526) 2.905 5.604 ( -1.114 -4.993 -1.698) 5.390 5.706 ( -1.229 -10.049 -1.755) 10.275 5.850 ( 2.433 1.423 -1.483) 3.185 5.912 ( 1.380 -4.767 -4.410) 6.638 5.975 ( -0.150 1.862 -4.397) 4.777 6.002 ( -0.281 -0.974 -3.020) 3.186 6.111 ( -0.200 0.004 4.943) 4.948 6.151 ( -0.679 -4.016 1.062) 4.210 6.296 ( -1.582 1.816 -1.958) 3.104 6.328 ( -1.653 -1.353 -2.407) 3.218 6.485 ( -1.970 1.935 3.483) 4.445 6.516 ( -2.076 -0.878 3.992) 4.585 6.760 ( -2.735 2.999 4.066) 5.744 6.835 ( -1.484 -4.793 5.078) 7.139 7.042 ( 2.371 5.749 1.198) 6.333 7.146 ( 4.595 -4.499 -0.353) 6.441 7.303 ( 0.068 5.322 -0.153) 5.325 7.359 ( -1.991 -0.269 -3.218) 3.793 7.409 ( -0.127 2.059 -1.494) 2.547 7.446 ( 0.880 -0.869 -4.462) 4.630 7.691 ( 0.524 -0.731 3.248) 3.370 7.714 ( 0.934 -2.645 2.373) 3.674 7.834 ( -0.704 3.129 2.700) 4.192 7.875 ( 0.133 -0.355 -1.554) 1.600 8.231 ( -3.048 0.252 4.179) 5.179 8.298 ( -1.292 -5.104 0.613) 5.301 8.475 ( -5.509 4.676 0.129) 7.227 8.552 ( -7.515 -3.065 0.451) 8.128 8.641 ( -6.436 4.811 0.760) 8.071 8.695 ( -2.966 -1.043 -0.624) 3.205 8.731 ( -3.100 3.838 2.082) 5.354 8.811 ( 3.225 0.399 -2.772) 4.271 8.907 ( -2.286 4.448 -1.611) 5.254 8.959 ( 3.606 -2.356 -0.813) 4.383 9.062 ( 5.182 -2.553 -2.285) 6.213 9.089 ( 0.354 -5.531 -0.194) 5.546 9.177 ( -1.375 3.870 -3.851) 5.630 9.224 ( 0.319 0.061 -3.361) 3.377 9.425 ( 3.617 5.347 1.878) 6.723 9.510 ( 0.201 2.292 1.102) 2.551 9.567 ( 1.221 -3.946 0.108) 4.132 9.592 ( -0.146 -10.308 -0.509) 10.322 9.842 ( 1.057 7.109 1.454) 7.332 9.972 ( 0.571 -6.352 2.226) 6.755 10.083 ( 2.422 -0.403 -3.259) 4.080 10.086 ( 2.253 -0.173 -3.300) 4.000 10.251 ( -0.584 2.436 0.936) 2.674 10.307 ( -0.287 -2.514 1.517) 2.950 10.611 ( 0.229 0.698 3.698) 3.770 10.680 ( 1.279 -3.088 -0.097) 3.344 10.706 ( -2.636 -1.457 1.368) 3.308 10.777 ( -0.604 -5.634 0.703) 5.710 11.071 ( -0.633 4.957 -2.558) 5.614 11.152 ( 0.289 -3.310 -1.209) 3.536 11.213 ( 2.213 1.723 1.244) 3.068 11.216 ( -0.834 1.039 -1.461) 1.977 11.878 ( 0.889 1.561 1.493) 2.335 11.916 ( 0.143 -1.790 -0.365) 1.832 12.042 ( 0.464 0.121 1.893) 1.952 12.107 ( 0.599 -5.939 0.223) 5.973 12.331 ( -2.659 1.766 1.920) 3.725 12.354 ( -0.358 -0.788 4.185) 4.274 12.470 ( -1.400 4.683 0.531) 4.916 12.505 ( -4.033 7.302 3.693) 9.122 12.549 ( -1.675 -3.194 -3.118) 4.768 12.597 ( -0.109 -0.958 3.664) 3.788 12.689 ( -1.780 -0.441 1.517) 2.380 12.746 ( -3.601 -2.879 6.155) 7.690 12.847 ( 3.839 0.821 -4.066) 5.652 12.864 ( 1.558 -1.292 -4.420) 4.861 13.044 ( -1.998 6.010 -2.053) 6.658 13.091 ( -1.177 2.650 0.375) 2.923 13.146 ( -0.604 -1.794 0.410) 1.937 13.203 ( -1.037 -6.766 2.271) 7.212 13.361 ( -4.763 3.213 4.819) 7.499 13.393 ( -11.108 -2.630 -0.182) 11.417 13.456 ( 4.770 -1.056 -0.544) 4.916 13.501 ( 4.915 -4.109 2.320) 6.814 13.846 ( 3.153 3.289 -2.217) 5.067 13.872 ( 3.823 1.026 -3.221) 5.103 14.153 ( -1.610 -0.414 6.550) 6.758 14.172 ( 3.505 -1.783 7.025) 8.051 14.384 ( -3.724 2.799 -5.829) 7.461 14.403 ( -2.899 0.496 -6.589) 7.216 14.533 ( 5.161 10.144 1.564) 11.489 14.655 ( -0.409 5.812 -5.914) 8.302 14.686 ( -0.454 -4.081 1.181) 4.273 14.792 ( 0.170 -8.521 -6.008) 10.427 15.192 ( -1.926 7.390 -5.267) 9.277 15.269 ( 1.011 0.692 -1.911) 2.270 15.403 ( -0.383 2.585 -2.151) 3.385 15.415 ( 0.405 1.777 -2.274) 2.914 15.619 ( -4.362 3.801 0.327) 5.795 15.642 ( -3.237 2.442 1.564) 4.346 15.697 ( 1.947 5.885 0.487) 6.218 15.833 ( 1.640 -8.469 -3.382) 9.266 16.026 ( -5.722 0.904 3.526) 6.782 16.062 ( -1.664 -5.413 4.328) 7.128 16.224 ( 3.965 4.258 -0.079) 5.819 16.323 ( 3.713 -5.170 -1.019) 6.446 16.597 ( -1.358 4.800 0.963) 5.081 16.690 ( 4.064 -4.087 -0.651) 5.801 16.726 ( 1.809 1.210 -1.490) 2.638 16.765 ( 1.852 -2.031 -2.915) 4.006 19.139 ( -0.118 4.818 0.409) 4.837 19.235 ( 0.564 -3.923 -0.950) 4.076 19.418 ( 0.685 2.153 0.126) 2.263 19.511 ( 0.974 -6.463 -3.057) 7.216 20.994 ( -1.093 5.731 0.822) 5.892 21.071 ( 2.403 3.503 0.907) 4.344 21.094 ( -2.630 -2.225 -0.610) 3.499 21.187 ( 1.855 -6.054 1.122) 6.431 25.038 ( -0.200 1.213 2.145) 2.473 25.062 ( -0.709 -1.468 2.496) 2.981 25.369 ( 1.534 -0.273 1.777) 2.364 25.385 ( 2.152 -2.101 2.536) 3.934 25.968 ( -0.912 2.915 -2.068) 3.688 25.989 ( -0.401 0.721 -2.297) 2.441 26.160 ( -0.428 0.782 1.629) 1.857 26.166 ( -0.583 0.107 1.444) 1.561 26.707 ( 3.125 0.844 1.024) 3.395 26.744 ( 5.884 -3.424 1.491) 6.969 27.007 ( 1.044 0.833 -0.924) 1.624 27.025 ( 2.255 -1.062 -1.724) 3.031 27.110 ( -0.134 4.197 4.123) 5.885 27.198 ( -2.596 -5.275 5.276) 7.899 27.326 ( 0.195 4.056 -1.622) 4.372 27.403 ( -0.024 -4.244 -1.847) 4.629 27.596 ( 2.128 7.573 0.577) 7.888 27.694 ( 4.293 0.334 -0.986) 4.417 27.791 ( -3.606 0.744 0.504) 3.717 27.870 ( -1.345 -4.854 -2.045) 5.437 28.172 ( -2.876 6.383 -0.102) 7.002 28.228 ( 0.839 3.522 0.582) 3.667 28.285 ( -0.880 -5.169 -1.161) 5.370 28.304 ( -1.754 -5.547 2.515) 6.338 28.381 ( -0.752 5.029 -0.304) 5.094 28.465 ( 0.569 -2.557 0.126) 2.623 28.671 ( -3.627 -1.649 -1.484) 4.251 28.702 ( -7.023 -5.112 -0.201) 8.689 29.061 ( -7.510 5.555 3.775) 10.075 29.160 ( -8.993 -4.900 1.475) 10.347 29.430 ( 0.153 5.446 -4.674) 7.179 29.493 ( 3.631 -1.000 -5.742) 6.867 29.806 ( 2.700 6.729 1.585) 7.422 29.921 ( 3.085 -5.484 0.634) 6.324 29.976 ( -3.102 4.265 5.447) 7.582 30.072 ( -0.210 -6.708 6.190) 9.130 30.502 ( -8.087 3.838 -2.609) 9.324 30.609 ( -5.293 -7.653 -0.518) 9.320 30.979 ( 13.701 7.662 -2.879) 15.960 31.121 ( 15.405 -7.981 -4.646) 17.961 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 8.164 15.438 1.544) 17.532 1.735 ( -4.715 14.640 3.648) 15.807 1.892 ( -2.053 -0.489 -12.653) 12.828 1.971 ( -3.734 0.129 -10.440) 11.088 1.981 ( -5.447 -3.704 -6.344) 9.145 2.066 ( -5.295 -7.221 -2.468) 9.288 2.234 ( -7.556 1.068 -6.780) 10.208 2.274 ( -0.768 -2.919 -4.822) 5.689 2.334 ( 4.400 2.108 -12.068) 13.017 2.462 ( 1.605 -10.894 -2.438) 11.278 2.615 ( 1.331 0.545 2.513) 2.896 2.648 ( 0.316 -2.993 5.501) 6.270 2.755 ( -3.018 1.149 3.641) 4.866 2.831 ( -3.029 -7.109 3.552) 8.505 2.919 ( -0.231 6.620 -1.467) 6.785 2.996 ( 1.990 0.179 4.486) 4.911 3.071 ( -0.440 -0.567 -1.346) 1.525 3.112 ( 2.659 -2.210 2.734) 4.408 3.170 ( 8.193 5.195 5.380) 11.094 3.263 ( 4.806 -2.912 0.153) 5.621 3.388 ( 2.185 8.136 2.704) 8.847 3.449 ( 0.417 1.536 2.672) 3.110 3.632 ( 7.139 3.775 2.855) 8.565 3.699 ( 6.353 -1.823 -3.386) 7.426 3.772 ( -2.427 3.900 -1.829) 4.944 3.838 ( -0.610 3.302 -2.426) 4.142 3.871 ( 1.341 2.461 -4.200) 5.049 4.028 ( 0.983 -0.897 2.798) 3.099 4.089 ( 5.640 -1.462 0.676) 5.866 4.147 ( 6.172 -8.855 4.121) 11.553 4.196 ( -0.749 4.498 2.543) 5.221 4.284 ( -0.195 4.818 4.764) 6.778 4.317 ( -1.394 2.592 -4.172) 5.105 4.331 ( 0.051 -2.332 -1.154) 2.602 4.371 ( 1.033 1.223 1.169) 1.982 4.437 ( 1.033 -2.358 5.096) 5.710 4.519 ( 0.079 1.300 1.658) 2.108 4.537 ( 2.542 -2.149 -3.844) 5.085 4.662 ( -2.675 -0.450 -0.983) 2.885 4.706 ( -4.607 -7.454 4.255) 9.742 4.872 ( -1.011 0.920 -0.424) 1.431 4.902 ( -3.743 -2.726 0.922) 4.721 5.005 ( -4.355 1.709 2.016) 5.095 5.029 ( -3.732 0.153 0.422) 3.758 5.191 ( 1.756 1.485 -4.515) 5.067 5.214 ( -0.274 3.587 -0.654) 3.656 5.243 ( 2.473 0.498 -1.133) 2.765 5.287 ( -0.161 0.162 0.194) 0.300 5.360 ( -1.402 3.184 -2.620) 4.355 5.425 ( -1.818 -3.767 -3.011) 5.154 5.487 ( -3.413 2.366 0.141) 4.155 5.535 ( -2.072 -2.326 1.106) 3.306 5.618 ( 2.065 -0.526 2.331) 3.158 5.682 ( 0.708 -6.935 -2.650) 7.458 5.849 ( -1.478 0.586 -0.271) 1.613 5.871 ( -2.136 -1.574 -0.336) 2.674 5.973 ( 0.915 -1.104 0.649) 1.574 5.986 ( 2.194 -2.366 -3.485) 4.750 6.102 ( -1.972 1.738 -1.688) 3.124 6.154 ( 0.063 -3.642 0.118) 3.644 6.265 ( -1.521 1.074 1.434) 2.350 6.296 ( -1.560 -2.458 0.994) 3.076 6.467 ( -3.501 1.895 2.129) 4.515 6.502 ( -2.938 -1.590 2.233) 4.019 6.753 ( -1.426 4.663 2.157) 5.332 6.836 ( -1.739 -3.502 2.728) 4.767 7.056 ( -2.088 4.918 -2.157) 5.762 7.137 ( -3.115 -1.672 -3.634) 5.070 7.290 ( -0.645 2.556 -1.232) 2.909 7.299 ( -0.174 1.533 -1.733) 2.320 7.398 ( 1.037 0.351 -1.940) 2.227 7.450 ( 0.679 -5.147 2.826) 5.911 7.701 ( -0.778 2.012 -0.680) 2.261 7.757 ( 1.244 -3.128 1.216) 3.580 7.848 ( -0.103 2.087 -3.542) 4.112 7.853 ( 0.280 1.052 1.305) 1.700 8.217 ( -2.592 -0.983 2.054) 3.450 8.260 ( -1.970 -4.796 -0.321) 5.194 8.407 ( -1.937 4.756 -0.554) 5.165 8.439 ( -5.138 2.474 -0.223) 5.707 8.542 ( -6.245 4.543 1.219) 7.818 8.634 ( -5.955 -5.646 3.860) 9.068 8.684 ( -4.151 5.562 0.129) 6.941 8.812 ( -0.457 -5.477 -1.848) 5.798 8.875 ( 1.858 5.144 -2.395) 5.971 8.955 ( -1.655 -2.687 -0.750) 3.243 9.059 ( -2.487 3.093 1.391) 4.205 9.107 ( 1.886 -0.558 -2.719) 3.356 9.198 ( 5.484 0.080 -0.626) 5.520 9.215 ( 1.198 -0.633 -0.744) 1.546 9.506 ( -1.173 1.475 0.321) 1.912 9.513 ( 3.119 1.981 1.683) 4.060 9.566 ( 0.280 -4.016 -0.360) 4.041 9.609 ( 2.222 -7.992 -1.790) 8.486 9.886 ( 2.078 6.550 2.117) 7.191 9.992 ( -0.716 -3.726 2.439) 4.510 10.093 ( 1.658 0.556 -1.114) 2.074 10.105 ( 3.653 -1.598 -2.802) 4.874 10.254 ( 1.799 4.308 -2.328) 5.217 10.318 ( 0.505 -1.742 -0.044) 1.814 10.601 ( -2.873 -1.223 -0.757) 3.213 10.645 ( -3.893 -4.107 -2.475) 6.176 10.710 ( 1.119 -0.195 1.417) 1.816 10.784 ( -1.954 -6.394 4.789) 8.224 10.998 ( -0.703 4.619 -5.132) 6.941 11.067 ( -1.804 -2.688 -4.328) 5.405 11.269 ( 3.301 5.783 2.023) 6.959 11.328 ( 3.588 -0.417 4.850) 6.047 11.908 ( 1.163 0.187 0.576) 1.311 11.929 ( 0.149 -2.117 1.983) 2.905 12.088 ( 2.995 0.926 1.066) 3.311 12.144 ( 2.325 -5.058 1.602) 5.793 12.301 ( -3.430 4.561 1.233) 5.838 12.370 ( -4.002 2.093 0.974) 4.620 12.395 ( -2.488 -2.591 -0.556) 3.635 12.437 ( -4.312 -1.050 0.246) 4.445 12.565 ( -0.298 2.030 5.194) 5.584 12.615 ( -1.216 -2.721 1.534) 3.352 12.672 ( -0.623 1.707 -0.339) 1.849 12.726 ( -1.726 -3.966 1.353) 4.532 12.830 ( -2.421 3.747 -2.908) 5.325 12.874 ( 0.689 -0.080 0.082) 0.698 13.005 ( 2.142 -0.494 -3.000) 3.720 13.044 ( -4.610 -2.844 -2.948) 6.167 13.136 ( -2.035 -0.147 1.725) 2.672 13.173 ( -1.162 -4.224 2.340) 4.967 13.289 ( -2.558 4.432 3.896) 6.432 13.377 ( -0.201 -4.556 5.284) 6.980 13.582 ( 8.488 1.605 -2.145) 8.900 13.608 ( 6.864 -1.370 -0.746) 7.039 13.835 ( 0.053 3.445 -4.829) 5.932 13.868 ( 0.548 1.247 -4.289) 4.500 14.151 ( -5.812 5.365 5.838) 9.830 14.185 ( -5.281 4.860 -1.845) 7.411 14.248 ( -5.948 -2.799 2.569) 7.058 14.315 ( -2.178 -4.717 -4.576) 6.924 14.593 ( -1.011 3.603 -2.876) 4.720 14.665 ( 0.084 -1.130 1.270) 1.702 14.711 ( 6.255 4.390 1.778) 7.846 14.802 ( 7.078 -4.799 -2.976) 9.054 15.126 ( 0.872 11.148 -4.878) 12.200 15.276 ( 1.039 -2.350 -0.569) 2.632 15.367 ( 0.268 3.096 -4.047) 5.102 15.408 ( 0.224 -0.742 -0.427) 0.885 15.563 ( -3.106 3.007 0.653) 4.372 15.593 ( -4.155 -0.167 1.206) 4.329 15.751 ( 2.874 7.500 1.675) 8.204 15.867 ( 3.335 -4.769 0.012) 5.820 15.957 ( -6.372 4.686 4.451) 9.076 16.055 ( -3.770 -6.497 4.051) 8.534 16.291 ( 3.323 2.835 0.035) 4.368 16.373 ( 2.878 -6.042 -0.356) 6.701 16.604 ( 0.233 5.229 1.615) 5.478 16.726 ( 1.135 -7.108 0.488) 7.215 16.788 ( 6.001 -0.385 -2.949) 6.698 16.806 ( 5.567 -2.533 -1.597) 6.321 19.159 ( 0.800 4.356 1.431) 4.654 19.252 ( 1.089 -4.417 0.297) 4.559 19.418 ( -0.931 1.593 0.653) 1.957 19.487 ( -0.345 -4.827 -2.493) 5.444 20.991 ( 0.665 3.205 -0.212) 3.280 21.039 ( -2.116 -1.426 -1.128) 2.789 21.122 ( 1.835 4.173 0.970) 4.661 21.199 ( -1.041 -3.439 0.532) 3.632 25.053 ( -0.214 1.117 1.393) 1.798 25.071 ( -0.175 -0.820 0.838) 1.186 25.414 ( 2.041 0.933 0.933) 2.430 25.460 ( 2.856 -4.190 2.270) 5.556 25.943 ( -0.517 3.020 -0.534) 3.111 25.970 ( -0.220 0.227 -0.481) 0.576 26.165 ( -1.062 0.599 0.841) 1.481 26.166 ( -0.766 0.464 1.093) 1.413 26.718 ( 1.997 3.692 -4.890) 6.444 26.797 ( 3.229 -4.819 -5.058) 7.696 27.063 ( 0.749 -0.677 1.564) 1.862 27.068 ( 2.470 -1.297 2.725) 3.900 27.173 ( 2.789 2.441 3.894) 5.376 27.229 ( 0.878 -3.449 4.419) 5.674 27.342 ( 1.972 2.325 1.358) 3.338 27.394 ( 0.037 -3.227 0.206) 3.234 27.613 ( 1.786 5.915 -3.070) 6.899 27.705 ( -2.854 -3.754 -3.282) 5.745 27.800 ( 5.176 8.099 4.914) 10.795 27.908 ( 2.844 -3.595 4.385) 6.343 28.132 ( -2.530 7.051 1.293) 7.602 28.215 ( -3.405 2.498 -3.380) 5.409 28.264 ( 0.848 -0.736 0.005) 1.123 28.311 ( -1.232 -3.211 2.013) 3.985 28.336 ( -2.309 0.896 -1.654) 2.978 28.443 ( -4.550 -7.059 -0.418) 8.409 28.540 ( -5.998 -0.336 -2.793) 6.624 28.593 ( -4.259 -3.938 -0.177) 5.804 28.962 ( -7.417 3.955 1.421) 8.525 29.027 ( -7.901 -2.178 1.733) 8.377 29.334 ( -4.573 7.972 -4.009) 10.027 29.462 ( 0.234 -4.606 -6.026) 7.589 29.856 ( 2.405 3.692 -0.879) 4.492 29.925 ( 0.241 -1.809 -3.275) 3.749 29.996 ( -3.545 1.679 8.441) 9.308 30.084 ( -4.407 -6.756 3.903) 8.961 30.392 ( -1.663 8.191 -1.560) 8.503 30.573 ( 0.981 -11.083 1.329) 11.206 31.193 ( 12.871 6.649 -2.610) 14.720 31.310 ( 11.323 -6.032 -4.745) 13.679 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.812 7.099 -8.662) 11.228 1.640 ( -0.154 -4.653 -5.886) 7.505 1.809 ( -3.501 11.307 4.976) 12.840 1.896 ( 1.353 6.483 2.357) 7.030 1.942 ( -5.347 1.786 4.957) 7.507 2.003 ( -5.629 -7.136 2.025) 9.312 2.108 ( 3.701 2.236 -3.823) 5.772 2.240 ( 5.284 -9.173 -6.843) 12.605 2.371 ( 6.421 5.697 -4.512) 9.698 2.484 ( 2.585 -4.347 1.619) 5.311 2.615 ( 0.050 2.759 -2.246) 3.558 2.667 ( -0.898 -3.456 -0.324) 3.585 2.742 ( -1.098 -0.624 3.529) 3.749 2.777 ( -1.469 -2.850 -1.321) 3.468 2.951 ( 0.184 0.106 2.728) 2.736 3.015 ( -1.350 -4.296 0.391) 4.520 3.121 ( 3.215 4.436 3.422) 6.460 3.198 ( 3.482 -2.344 2.680) 4.980 3.269 ( -0.988 4.629 2.428) 5.320 3.306 ( -1.105 -2.339 1.130) 2.823 3.450 ( 1.098 3.608 0.145) 3.774 3.493 ( 3.740 1.409 0.908) 4.098 3.716 ( 2.534 3.041 -3.637) 5.376 3.730 ( 0.861 4.976 1.813) 5.366 3.760 ( 4.166 0.178 -7.182) 8.304 3.841 ( 4.981 -1.727 -3.225) 6.180 3.959 ( 6.057 9.098 3.271) 11.408 4.075 ( 1.379 0.316 0.811) 1.631 4.113 ( -1.704 1.110 -1.933) 2.806 4.198 ( 1.838 1.185 -1.106) 2.450 4.212 ( -2.807 0.556 -3.585) 4.587 4.242 ( 0.503 0.098 -2.067) 2.129 4.311 ( -2.502 8.863 0.885) 9.252 4.342 ( 3.580 -9.675 1.482) 10.422 4.410 ( -5.744 -3.808 -3.435) 7.700 4.463 ( 1.658 3.132 3.702) 5.124 4.536 ( 2.329 -4.231 2.220) 5.316 4.596 ( -1.014 -5.282 4.022) 6.716 4.631 ( 0.115 2.119 0.900) 2.305 4.653 ( -3.190 -1.886 -1.419) 3.969 4.785 ( -7.062 -2.233 -2.789) 7.915 4.814 ( -4.777 -2.915 0.214) 5.600 4.952 ( -3.229 2.232 -0.133) 3.928 5.000 ( 0.085 -2.611 -0.107) 2.614 5.180 ( 0.707 3.622 -2.228) 4.310 5.232 ( 0.226 -0.420 1.520) 1.593 5.271 ( 2.417 3.715 -1.914) 4.828 5.312 ( 1.514 0.844 0.992) 1.997 5.344 ( 1.200 1.172 -0.914) 1.910 5.402 ( 0.778 -2.368 2.243) 3.353 5.423 ( -2.469 1.737 1.548) 3.392 5.501 ( -3.106 -5.269 1.377) 6.269 5.663 ( 0.375 0.355 0.449) 0.684 5.681 ( 1.489 -2.515 -2.270) 3.701 5.802 ( -2.591 1.103 -2.989) 4.107 5.846 ( -1.932 -2.758 1.553) 3.708 5.958 ( -1.638 -0.438 -0.253) 1.714 5.992 ( -1.997 -2.757 2.483) 4.213 6.089 ( 3.948 2.205 -2.364) 5.103 6.159 ( 1.195 -4.927 -0.574) 5.103 6.269 ( -0.959 0.003 3.630) 3.754 6.290 ( -1.734 -2.294 3.677) 4.668 6.414 ( -3.790 2.160 0.714) 4.421 6.464 ( -3.106 -3.097 0.635) 4.432 6.756 ( -0.045 7.238 -0.003) 7.238 6.864 ( 2.049 -2.025 2.499) 3.814 6.944 ( -4.505 3.184 -4.840) 7.339 7.040 ( -3.106 -4.644 -2.381) 6.074 7.273 ( -1.022 4.057 1.301) 4.381 7.308 ( 1.098 -0.340 0.066) 1.151 7.398 ( 0.419 1.717 -0.997) 2.029 7.490 ( -1.256 -7.958 4.627) 9.290 7.661 ( -0.309 6.109 -4.430) 7.552 7.772 ( 0.763 -4.492 -2.167) 5.045 7.802 ( 0.193 2.450 -5.811) 6.309 7.855 ( 0.449 -2.421 -2.037) 3.196 8.197 ( -1.476 2.326 1.761) 3.270 8.253 ( 0.945 -2.747 -0.156) 2.910 8.358 ( -4.149 6.755 0.127) 7.928 8.402 ( 0.770 2.681 0.237) 2.799 8.467 ( -2.487 0.993 -0.343) 2.699 8.580 ( -4.529 -6.305 4.840) 9.148 8.597 ( -4.696 7.796 -0.760) 9.133 8.775 ( -1.729 -7.650 -0.624) 7.868 8.913 ( 4.310 3.343 -1.921) 5.783 8.936 ( 0.263 1.414 -0.213) 1.454 9.049 ( -2.883 0.964 5.949) 6.681 9.104 ( -0.097 -3.853 -0.206) 3.860 9.235 ( 0.210 4.208 1.365) 4.429 9.296 ( 4.578 -1.845 0.879) 5.013 9.486 ( -0.597 2.266 -0.618) 2.424 9.540 ( -0.466 -3.028 2.060) 3.692 9.594 ( 1.501 -0.353 -0.700) 1.693 9.625 ( 2.670 -5.019 -1.615) 5.910 9.951 ( 2.427 5.149 2.309) 6.144 9.998 ( -1.466 0.938 1.852) 2.542 10.121 ( 1.453 -0.627 1.076) 1.914 10.142 ( 1.727 -3.378 -0.107) 3.795 10.266 ( 3.611 5.686 -4.296) 7.989 10.330 ( 1.578 -1.279 -0.244) 2.046 10.526 ( -3.873 -2.468 -0.959) 4.692 10.553 ( -1.868 -4.767 -3.543) 6.226 10.739 ( 0.241 -1.057 2.190) 2.444 10.792 ( -2.497 -5.497 4.126) 7.313 10.981 ( 2.239 3.606 -1.199) 4.411 11.036 ( 1.081 -1.870 -0.777) 2.296 11.325 ( 1.648 6.508 0.099) 6.714 11.395 ( -0.114 -0.368 1.922) 1.960 11.923 ( 0.025 0.185 -0.169) 0.252 11.947 ( -0.224 -2.249 1.277) 2.596 12.148 ( 2.512 2.481 -0.388) 3.552 12.185 ( 0.202 -0.386 -1.000) 1.091 12.228 ( -3.947 -0.146 -1.692) 4.297 12.309 ( -1.565 -1.280 0.759) 2.159 12.316 ( -3.633 -2.490 -2.786) 5.212 12.414 ( -2.035 -6.188 2.057) 6.831 12.555 ( -2.800 1.709 -2.660) 4.223 12.573 ( -2.028 -0.252 -1.429) 2.494 12.676 ( 0.773 3.203 -0.584) 3.347 12.745 ( 1.795 -3.564 -2.117) 4.517 12.771 ( -1.205 2.062 2.419) 3.400 12.871 ( -2.003 -6.898 2.758) 7.694 12.973 ( 0.521 3.598 -1.585) 3.966 13.038 ( 2.208 -1.686 -1.619) 3.215 13.126 ( -1.409 1.371 3.008) 3.593 13.168 ( -3.144 -2.561 3.609) 5.429 13.334 ( 1.235 3.382 4.529) 5.786 13.423 ( -0.054 -5.673 3.599) 6.718 13.687 ( 7.012 2.649 -2.953) 8.056 13.707 ( 5.949 -0.024 -4.477) 7.445 13.777 ( 0.354 3.737 -3.839) 5.369 13.836 ( 1.325 -1.116 -2.428) 2.982 14.049 ( -4.179 9.460 -4.415) 11.245 14.092 ( -6.727 4.204 2.304) 8.261 14.200 ( -5.711 -2.196 4.525) 7.610 14.248 ( -1.210 -5.225 -1.405) 5.544 14.560 ( -1.854 1.207 1.472) 2.658 14.645 ( -1.048 -5.249 0.490) 5.375 14.822 ( 4.162 7.044 -1.686) 8.353 14.900 ( 4.747 -1.705 -1.048) 5.151 15.129 ( 4.310 11.095 -3.697) 12.463 15.295 ( 2.436 -4.455 -1.425) 5.274 15.345 ( 0.656 3.052 -1.671) 3.541 15.403 ( -0.031 -3.154 -1.403) 3.453 15.524 ( -1.865 2.268 0.078) 2.937 15.538 ( -2.524 0.257 -0.136) 2.541 15.813 ( 1.485 8.549 2.665) 9.077 15.901 ( -4.200 5.324 4.798) 8.307 15.926 ( -0.326 -1.944 4.145) 4.589 16.030 ( -3.522 -6.024 4.191) 8.140 16.334 ( 1.686 1.596 0.484) 2.372 16.415 ( 1.660 -7.847 1.130) 8.099 16.607 ( -0.390 7.352 -1.968) 7.621 16.747 ( 1.041 -7.272 -0.595) 7.370 16.855 ( 4.862 -0.256 -2.183) 5.335 16.896 ( 4.647 -4.489 0.284) 6.467 19.180 ( -0.086 3.597 1.302) 3.826 19.265 ( -0.098 -4.975 0.425) 4.994 19.402 ( -1.552 1.663 0.381) 2.307 19.459 ( -0.193 -4.083 -1.526) 4.363 21.010 ( 0.540 1.656 -0.469) 1.804 21.018 ( 1.075 0.710 1.632) 2.080 21.153 ( 0.346 1.959 1.186) 2.316 21.176 ( -1.852 -0.400 0.511) 1.962 25.056 ( -0.414 0.913 0.317) 1.051 25.071 ( -0.168 -0.725 -0.264) 0.789 25.448 ( 1.182 1.934 -0.094) 2.269 25.509 ( 0.964 -4.808 0.411) 4.921 25.939 ( -0.098 2.859 0.763) 2.961 25.968 ( -0.146 -0.117 0.592) 0.621 26.148 ( -1.062 0.950 -0.252) 1.447 26.155 ( -1.146 0.151 0.178) 1.170 26.705 ( 2.721 4.141 -5.641) 7.508 26.784 ( 2.893 -4.160 -7.511) 9.060 27.065 ( -0.591 0.385 -0.482) 0.854 27.101 ( 0.132 -3.455 -0.588) 3.507 27.257 ( 2.486 0.939 2.624) 3.735 27.284 ( 0.104 -1.827 3.008) 3.521 27.399 ( 0.551 0.064 3.262) 3.309 27.409 ( -0.789 -0.999 3.558) 3.779 27.628 ( 1.154 3.158 0.411) 3.387 27.674 ( 3.316 -1.919 -0.197) 3.837 27.962 ( 3.344 3.278 3.564) 5.885 27.984 ( 1.717 6.385 5.340) 8.499 28.024 ( -6.658 2.498 -6.306) 9.505 28.117 ( -2.133 2.454 -2.938) 4.382 28.252 ( -4.429 -1.449 2.269) 5.183 28.285 ( 0.797 1.308 -1.671) 2.267 28.334 ( 0.567 -3.299 2.018) 3.908 28.378 ( -0.116 -8.310 3.183) 8.900 28.486 ( -1.644 2.275 0.879) 2.941 28.535 ( -2.755 -2.762 -0.066) 3.902 28.844 ( -5.206 5.965 -2.273) 8.237 28.935 ( -4.504 -2.466 0.852) 5.205 29.233 ( -2.719 8.683 -2.319) 9.389 29.418 ( 0.850 -9.488 -2.726) 9.908 29.867 ( 0.767 2.487 -3.655) 4.487 29.882 ( -1.130 1.824 -1.793) 2.796 30.005 ( -3.572 -1.378 5.639) 6.816 30.044 ( -3.936 -6.507 4.602) 8.889 30.401 ( 1.494 11.219 1.669) 11.441 30.623 ( 1.685 -12.655 1.594) 12.865 31.336 ( 7.833 4.462 -4.981) 10.300 31.405 ( 6.295 -3.074 -6.023) 9.239 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 6.285 3.671 11.815) 13.877 1.759 ( 7.271 -4.088 9.012) 12.280 1.857 ( 2.463 4.838 8.897) 10.423 1.930 ( 1.020 7.682 4.854) 9.145 1.986 ( 3.233 -0.665 7.647) 8.329 2.013 ( 1.646 -0.380 9.561) 9.709 2.180 ( 6.982 -1.309 -1.541) 7.269 2.278 ( 3.510 -4.933 -1.976) 6.369 2.447 ( 5.950 5.024 -1.895) 8.015 2.563 ( 2.952 -2.608 1.057) 4.079 2.637 ( -2.201 -0.426 -1.144) 2.517 2.641 ( 2.499 3.182 3.871) 5.599 2.738 ( -2.881 -4.380 1.448) 5.439 2.767 ( -0.594 -3.981 2.576) 4.779 2.966 ( 0.009 0.851 -0.578) 1.028 2.994 ( -0.960 -2.265 -0.872) 2.610 3.141 ( -3.491 3.888 -1.723) 5.502 3.202 ( -4.798 -0.160 -0.767) 4.862 3.272 ( -0.390 -0.909 0.438) 1.081 3.295 ( -1.044 0.352 3.720) 3.880 3.456 ( 1.817 8.013 0.462) 8.229 3.571 ( 2.888 -3.372 2.155) 4.935 3.698 ( 0.276 8.517 -2.889) 8.998 3.723 ( -1.578 2.245 -1.689) 3.222 3.788 ( 2.898 2.168 -1.525) 3.927 3.929 ( 5.907 -6.455 -0.161) 8.751 4.025 ( -5.900 7.241 -4.591) 10.408 4.048 ( 0.070 4.201 1.172) 4.362 4.070 ( -2.763 1.815 -3.497) 4.812 4.116 ( -2.052 4.819 -2.205) 5.683 4.138 ( -2.588 4.183 -7.216) 8.734 4.190 ( -2.451 0.681 -3.880) 4.640 4.262 ( 2.629 -0.827 -5.995) 6.598 4.353 ( 0.019 -2.108 1.041) 2.351 4.388 ( -6.973 -7.481 -4.444) 11.151 4.424 ( 1.492 -6.639 -2.142) 7.134 4.534 ( -2.455 0.211 -4.173) 4.846 4.546 ( -3.723 -1.480 3.738) 5.479 4.600 ( -4.173 -2.808 -0.347) 5.042 4.653 ( -2.098 -5.699 -0.517) 6.095 4.693 ( 3.527 4.797 1.075) 6.050 4.793 ( 1.909 -4.557 0.956) 5.032 4.912 ( 0.480 4.557 -1.638) 4.866 5.008 ( 0.635 -5.672 -0.103) 5.708 5.189 ( 2.780 4.460 -1.270) 5.407 5.254 ( 2.973 -0.907 -0.664) 3.179 5.279 ( 0.210 4.664 -1.671) 4.958 5.336 ( 0.157 -1.120 -1.026) 1.527 5.359 ( 0.138 4.095 4.816) 6.323 5.431 ( -3.470 -0.980 3.247) 4.853 5.475 ( 2.859 -1.486 3.040) 4.430 5.500 ( 1.061 -2.223 5.301) 5.845 5.630 ( -1.984 1.055 -3.141) 3.862 5.668 ( 0.088 -3.222 -2.810) 4.276 5.723 ( 0.149 1.873 -5.768) 6.067 5.817 ( 0.367 -8.008 -3.725) 8.839 5.958 ( -0.247 1.687 4.342) 4.665 5.996 ( -1.191 -1.926 3.651) 4.296 6.148 ( 2.893 0.979 0.294) 3.068 6.194 ( 2.423 -3.101 1.871) 4.357 6.290 ( -1.777 -0.750 2.637) 3.268 6.299 ( -2.048 -1.939 3.101) 4.191 6.376 ( -0.751 2.206 1.144) 2.596 6.426 ( -1.050 -2.821 0.206) 3.017 6.740 ( -0.868 7.412 -0.700) 7.495 6.842 ( -2.670 0.328 -2.503) 3.675 6.940 ( 3.770 -0.630 0.704) 3.887 7.015 ( 1.935 -4.991 -0.778) 5.409 7.276 ( -0.617 3.432 1.782) 3.916 7.320 ( -0.334 -1.231 0.544) 1.386 7.397 ( 0.238 3.051 0.653) 3.129 7.497 ( -1.827 -3.942 2.943) 5.248 7.628 ( 1.959 2.190 -4.169) 5.100 7.723 ( -0.784 -4.561 -6.293) 7.811 7.754 ( 1.203 3.821 -6.526) 7.657 7.843 ( 1.781 -5.059 -4.324) 6.889 8.175 ( -2.978 5.286 0.734) 6.111 8.258 ( -0.971 -2.922 0.225) 3.088 8.333 ( 0.932 6.502 0.869) 6.626 8.419 ( 2.320 -1.924 -0.586) 3.070 8.468 ( 1.181 4.437 2.007) 5.011 8.537 ( -0.491 8.214 -1.277) 8.327 8.599 ( -0.244 -4.689 6.357) 7.903 8.747 ( -0.935 -8.450 -0.632) 8.525 8.939 ( 0.133 2.838 -0.816) 2.955 8.968 ( 2.852 0.952 -0.743) 3.097 9.068 ( -2.961 0.096 7.655) 8.208 9.125 ( 2.305 -6.265 1.562) 6.856 9.232 ( -1.909 7.675 0.942) 7.965 9.344 ( -0.008 -4.016 0.800) 4.095 9.483 ( -0.174 5.247 0.801) 5.310 9.544 ( -1.434 -0.356 0.707) 1.638 9.619 ( 1.380 -1.934 2.275) 3.289 9.653 ( 1.431 -4.883 -0.722) 5.139 9.966 ( -3.322 3.526 0.395) 4.861 9.990 ( -0.400 2.174 1.131) 2.483 10.147 ( -0.977 -1.169 -0.072) 1.525 10.156 ( -0.075 -2.827 3.144) 4.229 10.303 ( 4.515 5.700 -2.755) 7.776 10.365 ( 1.792 -0.724 0.393) 1.973 10.481 ( -0.506 -1.694 -0.287) 1.791 10.538 ( 2.961 -6.717 -1.740) 7.544 10.772 ( 0.981 -3.144 3.277) 4.646 10.782 ( -2.941 -3.762 3.614) 5.988 11.029 ( 2.419 3.268 2.024) 4.542 11.079 ( 2.515 -1.368 2.882) 4.062 11.313 ( -1.654 4.895 -3.450) 6.213 11.356 ( -4.053 0.968 -2.397) 4.807 11.908 ( -0.408 0.921 -1.103) 1.493 11.946 ( -0.319 -2.773 0.420) 2.823 12.121 ( -0.680 5.207 -4.062) 6.639 12.146 ( -2.791 -0.611 -2.965) 4.118 12.167 ( -0.252 -3.330 -3.040) 4.516 12.224 ( -1.624 -4.984 -4.957) 7.214 12.332 ( 0.489 -0.594 1.629) 1.802 12.408 ( -0.108 -7.323 1.500) 7.476 12.499 ( -1.343 2.612 -3.340) 4.448 12.523 ( 0.267 1.148 -1.888) 2.225 12.668 ( -0.775 3.997 -1.893) 4.490 12.717 ( 0.633 -2.420 -3.581) 4.368 12.813 ( -0.314 0.456 3.260) 3.307 12.886 ( 1.243 -6.175 1.707) 6.526 12.986 ( 1.000 4.200 1.051) 4.443 13.050 ( 0.288 -1.595 0.882) 1.845 13.144 ( -0.974 0.568 2.731) 2.955 13.164 ( -0.705 -1.641 3.454) 3.888 13.368 ( -2.322 2.348 2.809) 4.335 13.440 ( -2.071 -4.954 3.085) 6.193 13.705 ( 3.547 2.683 -6.205) 7.634 13.724 ( 1.867 0.477 -4.059) 4.493 13.826 ( 2.764 2.565 0.927) 3.883 13.893 ( 3.572 -3.978 -1.617) 5.586 13.970 ( 0.003 3.703 -2.022) 4.219 13.989 ( -6.241 2.559 1.281) 6.866 14.142 ( -2.397 5.943 2.684) 6.948 14.251 ( 2.151 -4.223 0.066) 4.739 14.547 ( -0.671 3.155 -0.005) 3.225 14.649 ( 0.256 -6.521 0.362) 6.536 14.826 ( 0.191 7.883 -3.112) 8.477 14.923 ( 0.023 -3.032 -1.533) 3.398 15.179 ( 4.465 8.954 -2.695) 10.363 15.316 ( 1.923 -4.665 -3.485) 6.133 15.360 ( 1.571 1.768 1.090) 2.604 15.382 ( -1.008 -0.496 0.093) 1.127 15.500 ( -0.173 2.460 -0.588) 2.535 15.518 ( 0.904 0.156 -1.592) 1.838 15.850 ( -0.734 8.970 3.495) 9.655 15.881 ( -3.499 7.219 5.058) 9.484 15.964 ( -1.180 -3.808 5.853) 7.082 16.027 ( -1.839 -6.056 4.143) 7.564 16.364 ( 0.946 2.373 0.700) 2.648 16.453 ( 0.555 -8.126 2.069) 8.404 16.553 ( -2.007 9.596 -3.474) 10.401 16.740 ( -0.673 -10.259 -1.072) 10.336 16.898 ( 1.835 0.551 -1.340) 2.338 16.947 ( 0.894 -4.407 -0.279) 4.506 19.184 ( -0.712 2.796 1.126) 3.098 19.262 ( -0.182 -5.259 -0.105) 5.263 19.379 ( -0.740 3.010 -0.195) 3.106 19.456 ( 1.188 -5.119 -0.791) 5.314 21.027 ( 0.167 3.461 2.323) 4.172 21.071 ( 1.729 -0.934 2.859) 3.469 21.143 ( -1.249 2.669 0.265) 2.959 21.171 ( -0.182 -0.346 0.842) 0.928 25.047 ( -0.592 0.703 -0.429) 1.014 25.059 ( -0.515 -0.664 -0.990) 1.299 25.449 ( -0.414 1.764 -0.880) 2.014 25.497 ( -1.391 -3.505 -1.708) 4.140 25.955 ( 0.342 2.501 2.108) 3.289 25.980 ( 0.377 -0.117 1.769) 1.813 26.128 ( -0.449 0.910 -1.304) 1.653 26.134 ( -0.784 0.215 -1.080) 1.352 26.696 ( 2.325 2.701 -5.029) 6.164 26.752 ( 2.276 -3.166 -7.605) 8.546 27.043 ( -0.701 -0.404 -1.581) 1.776 27.071 ( -0.577 -3.291 -3.682) 4.972 27.289 ( -1.864 0.241 2.003) 2.747 27.301 ( -0.038 -0.967 1.249) 1.580 27.417 ( -1.569 0.688 3.754) 4.126 27.428 ( -1.307 -0.573 3.804) 4.062 27.660 ( -0.425 5.337 2.863) 6.071 27.731 ( -2.145 -2.041 1.995) 3.570 27.868 ( -0.055 2.539 -4.173) 4.885 27.899 ( -2.599 -0.877 -5.880) 6.489 28.094 ( 0.017 4.520 1.953) 4.924 28.158 ( 4.261 -0.842 4.864) 6.521 28.249 ( 0.735 1.698 4.012) 4.418 28.302 ( 2.097 -0.933 1.206) 2.592 28.359 ( -0.835 1.113 1.758) 2.242 28.420 ( -1.082 -3.970 2.739) 4.943 28.464 ( -2.053 2.287 2.921) 4.240 28.531 ( 2.187 -4.827 1.644) 5.548 28.768 ( 0.595 6.371 -3.992) 7.542 28.884 ( -1.016 -5.303 -1.764) 5.680 29.214 ( 1.854 11.727 0.342) 11.878 29.447 ( 3.683 -12.005 -0.224) 12.560 29.814 ( -0.677 5.131 -3.617) 6.314 29.869 ( -0.487 0.811 -0.784) 1.228 29.988 ( -2.948 0.265 3.769) 4.792 30.068 ( 1.272 -7.117 4.173) 8.348 30.440 ( -0.904 8.536 4.075) 9.502 30.633 ( -2.066 -11.592 0.519) 11.786 31.352 ( 1.407 4.253 -7.344) 8.602 31.417 ( 3.146 -2.883 -7.317) 8.470 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -12.028 10.054 3.768) 16.123 1.826 ( -0.696 -7.864 1.288) 7.999 1.985 ( -7.656 6.152 4.842) 10.950 2.048 ( -3.152 0.346 -0.322) 3.187 2.124 ( 3.592 2.614 2.086) 4.908 2.209 ( 4.615 -5.317 2.054) 7.334 2.262 ( 5.516 5.202 0.357) 7.591 2.405 ( 6.452 -7.033 3.097) 10.034 2.461 ( -4.671 2.676 -2.539) 5.952 2.561 ( 6.547 -6.951 -1.243) 9.629 2.651 ( 4.015 -0.749 6.585) 7.749 2.674 ( -4.988 -0.252 1.888) 5.339 2.724 ( 2.017 0.973 -0.017) 2.239 2.782 ( -4.217 -3.631 5.394) 7.750 2.898 ( -6.268 2.925 -1.162) 7.014 2.963 ( -4.056 -3.338 2.395) 5.773 3.082 ( 2.643 4.906 -3.372) 6.513 3.128 ( 2.255 0.751 -5.046) 5.577 3.237 ( -5.314 5.406 -1.708) 7.770 3.271 ( -6.615 0.962 3.523) 7.556 3.507 ( -1.707 7.687 6.232) 10.042 3.534 ( -9.098 3.074 -1.075) 9.663 3.668 ( -4.599 3.984 -1.789) 6.342 3.731 ( 4.464 2.289 1.136) 5.143 3.806 ( -4.854 9.531 -2.554) 10.996 3.820 ( 0.454 2.463 1.080) 2.728 3.938 ( -5.056 -3.516 -1.908) 6.447 3.983 ( -3.002 -6.114 -8.277) 10.719 4.042 ( 2.264 1.120 -1.067) 2.742 4.070 ( -0.542 0.228 0.443) 0.736 4.089 ( 0.650 1.610 -6.069) 6.313 4.163 ( 1.963 -5.685 -2.305) 6.441 4.203 ( 1.691 1.627 -5.176) 5.683 4.291 ( 1.520 -4.448 -1.452) 4.920 4.325 ( -5.293 -0.516 -3.336) 6.277 4.376 ( -0.115 -2.402 -0.698) 2.504 4.454 ( 1.437 0.987 -1.457) 2.272 4.568 ( 5.033 -5.431 1.874) 7.638 4.619 ( 0.088 0.380 1.140) 1.205 4.684 ( 3.572 -2.688 4.746) 6.520 4.756 ( 3.511 4.992 -0.764) 6.151 4.870 ( 5.257 -5.295 0.469) 7.476 4.933 ( 1.973 3.106 -0.300) 3.692 4.998 ( -2.402 -3.680 0.134) 4.397 5.229 ( 2.508 4.937 -3.825) 6.731 5.258 ( 1.693 1.944 0.526) 2.631 5.319 ( 2.288 -0.028 -2.355) 3.284 5.354 ( 7.220 -3.066 -2.074) 8.113 5.395 ( -4.516 2.069 6.299) 8.022 5.423 ( -1.249 0.019 7.991) 8.088 5.526 ( 0.292 0.277 -1.777) 1.822 5.545 ( 1.500 -1.471 -1.085) 2.365 5.602 ( 2.340 3.672 3.341) 5.488 5.679 ( 1.650 -0.746 2.241) 2.881 5.722 ( 5.394 -3.134 -4.937) 7.956 5.797 ( 3.107 -7.680 -6.460) 10.506 6.013 ( -1.462 -0.601 3.815) 4.130 6.023 ( 0.318 -1.441 5.485) 5.680 6.186 ( -0.720 1.731 1.105) 2.176 6.220 ( -0.964 -1.691 -1.944) 2.750 6.251 ( -0.526 1.323 -0.416) 1.483 6.294 ( 0.250 -2.728 0.078) 2.740 6.409 ( 0.762 1.414 3.605) 3.946 6.434 ( -0.325 -0.851 2.799) 2.943 6.737 ( -0.073 4.446 1.885) 4.830 6.808 ( -0.370 -0.737 0.839) 1.177 6.963 ( 1.070 1.606 -4.110) 4.540 7.066 ( 4.609 -7.275 -3.314) 9.227 7.280 ( -0.052 3.925 -0.058) 3.926 7.321 ( 0.276 0.069 0.735) 0.788 7.427 ( 1.050 5.561 3.310) 6.556 7.508 ( 0.731 -0.581 1.462) 1.734 7.623 ( 0.553 -1.627 -5.120) 5.401 7.661 ( 1.655 -5.492 -4.587) 7.344 7.717 ( 1.743 4.492 -4.457) 6.564 7.819 ( 1.076 -6.336 -5.545) 8.489 8.147 ( 0.171 5.869 0.562) 5.898 8.247 ( 0.464 -4.367 -0.141) 4.394 8.375 ( 1.427 6.141 1.935) 6.594 8.442 ( -0.616 0.196 0.698) 0.951 8.535 ( 4.177 5.234 1.680) 6.904 8.566 ( 3.593 4.716 0.451) 5.946 8.671 ( 1.306 -4.649 4.742) 6.768 8.731 ( 0.928 -5.934 -1.761) 6.259 8.930 ( 1.092 1.897 -1.380) 2.587 8.985 ( -0.558 -2.712 1.045) 2.959 9.107 ( -0.840 3.284 5.439) 6.409 9.175 ( -0.697 1.267 0.423) 1.507 9.214 ( 1.793 1.179 -0.328) 2.171 9.332 ( -2.021 -6.109 1.233) 6.552 9.468 ( -2.621 5.704 0.158) 6.279 9.515 ( -2.138 0.626 0.912) 2.407 9.641 ( -2.175 -1.523 1.224) 2.924 9.661 ( -0.611 -4.678 -0.182) 4.721 9.918 ( -2.794 2.173 1.949) 4.041 9.974 ( -1.570 -1.989 0.246) 2.546 10.118 ( -1.632 2.059 -0.576) 2.690 10.175 ( -1.461 -3.744 2.899) 4.956 10.332 ( 1.523 4.247 -2.281) 5.056 10.381 ( -0.507 -1.055 -0.245) 1.196 10.493 ( 1.560 0.958 0.015) 1.831 10.580 ( 3.595 -6.943 -2.533) 8.218 10.766 ( -2.989 -0.382 3.019) 4.266 10.833 ( 0.081 -7.201 4.484) 8.484 11.100 ( 2.168 5.412 3.310) 6.704 11.173 ( 1.862 -1.848 1.463) 3.004 11.211 ( -1.750 2.964 -2.391) 4.191 11.240 ( -3.446 0.703 -3.694) 5.101 11.913 ( 0.646 2.326 0.798) 2.542 11.954 ( -0.491 -1.593 1.132) 2.015 12.053 ( -3.559 0.341 -4.145) 5.473 12.066 ( -1.235 -2.036 -1.581) 2.859 12.158 ( 3.888 -1.226 -3.245) 5.210 12.189 ( 3.572 -2.968 -5.355) 7.089 12.341 ( 0.341 2.872 -1.623) 3.317 12.421 ( -0.954 -5.683 0.926) 5.836 12.457 ( -0.495 5.135 1.199) 5.297 12.541 ( 2.446 -1.753 0.189) 3.015 12.641 ( 1.045 2.421 -2.554) 3.671 12.684 ( -0.372 -3.051 -3.416) 4.595 12.832 ( 0.027 4.063 1.990) 4.524 12.937 ( 3.327 -6.410 0.252) 7.226 13.023 ( 1.164 3.558 1.891) 4.194 13.083 ( 1.446 -2.452 2.090) 3.531 13.149 ( -1.114 1.109 2.924) 3.319 13.200 ( 0.791 -3.894 2.618) 4.759 13.327 ( -4.395 3.943 2.737) 6.507 13.410 ( -5.095 -4.559 3.478) 7.671 13.688 ( -0.545 3.006 -4.614) 5.534 13.728 ( 1.623 0.919 -2.324) 2.979 13.745 ( -8.930 1.710 -3.834) 9.868 13.838 ( -0.109 -6.221 -7.961) 10.104 13.932 ( -1.334 5.044 0.356) 5.230 14.023 ( 2.922 -4.760 0.590) 5.616 14.254 ( 8.367 7.247 5.957) 12.570 14.342 ( 6.804 -1.198 2.369) 7.304 14.546 ( 1.851 4.530 -1.579) 5.142 14.619 ( -1.499 -1.696 -4.481) 5.020 14.812 ( -0.401 4.268 1.438) 4.522 14.897 ( -1.014 -4.092 -1.281) 4.406 15.211 ( 2.694 6.889 -3.377) 8.132 15.304 ( 0.808 -2.200 -1.615) 2.846 15.373 ( -0.758 2.587 1.538) 3.104 15.414 ( 2.971 -2.306 0.237) 3.768 15.511 ( 2.146 2.704 -0.842) 3.553 15.528 ( 2.136 0.267 -1.366) 2.550 15.845 ( -3.524 10.532 3.555) 11.661 15.903 ( -0.155 5.239 5.083) 7.301 16.013 ( -0.610 -4.637 6.693) 8.166 16.036 ( -1.683 -7.287 3.354) 8.196 16.349 ( -2.522 5.491 -2.364) 6.488 16.442 ( -0.859 -4.460 -4.386) 6.314 16.525 ( -1.167 7.029 4.859) 8.625 16.721 ( -1.193 -11.804 1.141) 11.919 16.887 ( -1.072 -0.052 -1.463) 1.814 16.919 ( -2.931 -3.240 -1.259) 4.546 19.181 ( -0.998 2.550 1.553) 3.148 19.261 ( 0.223 -5.654 -0.124) 5.660 19.381 ( 0.975 4.336 0.107) 4.446 19.482 ( 2.753 -6.450 -0.914) 7.072 21.034 ( -2.049 5.151 1.409) 5.720 21.105 ( -1.409 -2.221 2.830) 3.863 21.154 ( 1.283 2.331 1.215) 2.925 21.173 ( 0.120 -0.156 0.034) 0.200 25.028 ( -0.951 0.346 -0.602) 1.178 25.036 ( -0.930 -0.466 -0.854) 1.346 25.420 ( -1.953 0.728 -0.663) 2.188 25.440 ( -2.588 -1.281 -1.872) 3.442 25.995 ( 0.931 2.436 3.655) 4.490 26.020 ( 1.129 -0.284 3.413) 3.606 26.102 ( -0.135 0.748 -2.789) 2.891 26.106 ( -0.346 0.256 -2.524) 2.560 26.676 ( 0.756 0.822 -4.866) 4.993 26.708 ( 0.992 -2.649 -7.197) 7.733 27.001 ( -0.979 1.186 -2.478) 2.916 27.047 ( 0.831 -3.887 -1.200) 4.152 27.255 ( -3.993 1.432 1.608) 4.536 27.290 ( -2.872 -2.331 1.825) 4.124 27.426 ( -2.906 1.928 5.383) 6.414 27.452 ( -0.634 -0.835 4.261) 4.388 27.627 ( -3.340 5.656 -2.681) 7.094 27.689 ( -0.931 -0.373 0.667) 1.204 27.822 ( -1.055 2.900 -3.060) 4.346 27.894 ( 1.600 -4.299 1.819) 4.935 28.129 ( 0.970 4.968 3.330) 6.059 28.220 ( 1.476 -4.599 1.629) 5.098 28.285 ( -2.109 3.057 -2.351) 4.395 28.321 ( 1.207 0.762 1.353) 1.967 28.375 ( -2.836 0.797 2.032) 3.578 28.419 ( 1.332 -1.696 2.506) 3.306 28.513 ( 2.891 4.006 2.731) 5.645 28.616 ( 3.760 -6.197 3.260) 7.948 28.783 ( 5.133 3.010 -3.028) 6.677 28.873 ( 3.939 -6.137 -3.449) 8.067 29.296 ( 5.736 12.688 1.990) 14.066 29.508 ( 5.018 -8.878 -3.591) 10.812 29.784 ( -1.085 4.839 -0.498) 4.984 29.839 ( -1.244 -0.426 -2.166) 2.533 30.000 ( -0.122 5.321 3.873) 6.582 30.158 ( 3.276 -10.441 4.542) 11.848 30.448 ( -3.002 3.771 4.558) 6.633 30.574 ( -4.164 -8.846 0.006) 9.777 31.257 ( -3.419 6.466 -7.276) 10.317 31.366 ( -0.126 -5.545 -7.899) 9.652 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -12.325 18.598 2.966) 22.508 1.568 ( -25.400 10.775 -18.931) 33.461 1.781 ( -18.480 -10.677 -15.532) 26.396 1.803 ( -2.304 -15.265 -5.165) 16.279 2.056 ( -3.329 5.229 -3.052) 6.910 2.172 ( -7.154 -6.482 -0.491) 9.667 2.251 ( 0.514 5.756 -1.866) 6.073 2.380 ( 0.037 -5.807 -3.452) 6.755 2.498 ( -9.392 3.488 4.607) 11.027 2.557 ( -2.178 -0.675 2.055) 3.070 2.662 ( -0.284 1.002 -7.230) 7.304 2.712 ( -1.397 -3.908 -4.929) 6.444 2.822 ( -3.891 5.516 3.074) 7.417 2.835 ( 4.712 0.735 6.066) 7.717 2.876 ( 5.427 1.019 7.581) 9.379 2.897 ( -2.344 1.316 4.563) 5.296 3.068 ( -6.063 6.197 -0.582) 8.689 3.084 ( -2.552 5.862 -0.111) 6.394 3.142 ( -1.058 -0.289 -5.125) 5.241 3.196 ( 0.355 -3.012 1.434) 3.355 3.385 ( -3.121 0.942 -3.869) 5.059 3.494 ( -6.025 -5.416 1.582) 8.255 3.596 ( -4.568 8.516 7.169) 12.033 3.664 ( -8.982 0.671 2.305) 9.298 3.773 ( -3.806 -3.352 0.245) 5.077 3.815 ( -4.568 -2.891 -5.343) 7.601 3.867 ( 5.681 9.383 0.522) 10.981 3.980 ( 5.101 1.227 -3.429) 6.268 4.010 ( -0.038 1.583 -0.064) 1.584 4.054 ( -1.334 -2.000 0.495) 2.455 4.136 ( 6.955 0.486 1.012) 7.045 4.192 ( 3.327 0.113 -0.775) 3.418 4.238 ( -0.497 1.771 -1.155) 2.171 4.313 ( 0.130 -9.329 1.305) 9.420 4.323 ( 7.819 -0.211 -0.297) 7.827 4.382 ( 5.075 -5.863 -0.456) 7.768 4.574 ( 6.228 2.720 1.020) 6.872 4.602 ( 0.301 3.635 -1.426) 3.916 4.702 ( 4.277 0.843 5.102) 6.711 4.802 ( 2.537 -4.722 2.622) 5.967 4.812 ( 5.639 4.874 0.294) 7.459 4.923 ( -1.382 -0.579 -1.114) 1.867 4.945 ( -2.474 -0.248 2.382) 3.443 4.961 ( 4.532 -6.049 -2.902) 8.096 5.245 ( 2.852 3.750 -2.174) 5.189 5.314 ( 3.891 -3.235 -0.479) 5.083 5.345 ( 1.110 3.645 -0.295) 3.822 5.380 ( -1.013 0.202 -1.505) 1.825 5.430 ( 1.722 1.932 4.363) 5.073 5.491 ( 1.439 -3.257 6.715) 7.601 5.564 ( 3.096 1.546 0.409) 3.485 5.587 ( 3.867 -1.121 0.976) 4.143 5.702 ( 1.483 2.413 5.719) 6.382 5.720 ( 5.078 0.396 -4.808) 7.005 5.787 ( 4.622 -3.950 -0.441) 6.096 5.803 ( 5.680 -6.082 -6.011) 10.265 5.956 ( -6.114 2.946 -1.821) 7.027 6.030 ( -2.785 -4.335 -0.315) 5.162 6.164 ( -0.346 0.339 -0.440) 0.655 6.180 ( 1.342 -0.339 -3.356) 3.630 6.293 ( -0.604 0.670 5.412) 5.486 6.325 ( 2.484 -2.106 2.960) 4.401 6.440 ( -0.462 1.923 2.203) 2.960 6.468 ( 0.641 -0.945 2.901) 3.118 6.751 ( -1.626 2.936 2.631) 4.264 6.826 ( -1.176 -3.990 3.209) 5.253 6.923 ( 1.378 6.167 -6.131) 8.804 7.071 ( 2.039 -8.803 -7.155) 11.526 7.277 ( 0.710 5.277 -1.076) 5.432 7.331 ( 0.109 -0.287 -0.206) 0.370 7.476 ( 0.428 5.725 0.018) 5.741 7.534 ( 0.781 -0.792 -0.608) 1.268 7.581 ( 1.980 1.868 -2.803) 3.907 7.655 ( 1.930 -3.630 -3.948) 5.700 7.743 ( 2.307 0.108 1.255) 2.628 7.789 ( 1.179 -3.535 -2.193) 4.324 8.204 ( 4.069 4.448 2.361) 6.474 8.277 ( 3.834 -2.450 -1.853) 4.913 8.412 ( 1.362 2.511 1.805) 3.379 8.431 ( -1.256 1.363 0.934) 2.075 8.602 ( 0.948 1.546 3.182) 3.662 8.630 ( 2.165 1.092 0.419) 2.461 8.705 ( 0.741 1.469 1.451) 2.193 8.788 ( 6.447 -4.687 -1.037) 8.038 8.962 ( 3.575 0.286 -1.779) 4.003 8.983 ( -1.496 -0.832 0.996) 1.980 9.090 ( -5.168 5.911 1.680) 8.030 9.156 ( 0.037 2.865 -1.528) 3.248 9.245 ( 1.286 -2.816 -1.130) 3.295 9.310 ( -0.594 -7.112 -1.144) 7.228 9.417 ( -3.343 6.107 1.407) 7.103 9.504 ( -1.120 -2.618 2.433) 3.745 9.584 ( -2.981 -1.066 -1.427) 3.473 9.614 ( -2.978 -5.314 -1.713) 6.328 9.900 ( -3.045 1.827 2.888) 4.577 9.953 ( -1.596 -2.639 0.635) 3.148 10.085 ( -0.390 3.321 -2.487) 4.167 10.160 ( -2.257 -4.150 0.617) 4.764 10.316 ( -0.761 2.185 -1.937) 3.018 10.351 ( -2.799 -1.535 0.858) 3.306 10.520 ( 1.664 2.006 -0.092) 2.608 10.606 ( 2.195 -6.398 -1.745) 6.985 10.735 ( -2.660 2.507 0.878) 3.759 10.825 ( -4.082 -6.221 1.647) 7.621 11.057 ( -2.352 2.134 -5.149) 6.049 11.097 ( -1.309 -2.577 -4.427) 5.287 11.272 ( 3.824 5.122 5.165) 8.218 11.341 ( 3.336 -1.856 7.235) 8.180 11.872 ( -3.328 1.291 -0.415) 3.593 11.930 ( -3.238 -4.858 -2.536) 6.365 12.013 ( 1.538 4.828 3.791) 6.328 12.097 ( 2.122 -3.152 1.940) 4.266 12.214 ( 4.804 1.823 -4.489) 6.823 12.232 ( 7.029 -0.027 -1.682) 7.228 12.314 ( -1.244 4.431 -0.434) 4.623 12.405 ( -0.914 -3.737 0.795) 3.928 12.512 ( 2.453 4.564 3.081) 6.028 12.591 ( 2.982 -0.331 -0.072) 3.001 12.637 ( 0.359 0.329 -2.309) 2.360 12.675 ( 2.775 -6.530 -0.658) 7.126 12.864 ( 0.987 6.885 2.220) 7.301 12.994 ( 3.412 -5.185 -0.781) 6.255 13.052 ( 1.359 2.913 -0.220) 3.222 13.109 ( -1.619 -1.048 2.407) 3.084 13.180 ( 3.184 0.823 0.767) 3.377 13.202 ( -3.022 -3.054 1.291) 4.486 13.336 ( 0.105 -1.834 5.624) 5.916 13.349 ( -6.658 -2.419 5.733) 9.113 13.529 ( -9.925 3.235 -3.386) 10.974 13.569 ( -7.515 -0.433 -2.520) 7.938 13.726 ( 2.830 1.977 -5.239) 6.274 13.804 ( 5.387 -6.363 -8.753) 12.088 13.929 ( 1.421 7.634 -0.974) 7.826 14.076 ( 2.825 -8.738 -0.323) 9.190 14.439 ( 5.437 6.862 2.297) 9.052 14.475 ( 4.626 3.069 2.202) 5.972 14.551 ( -1.422 3.084 -1.479) 3.704 14.588 ( 3.394 -1.147 1.185) 3.774 14.819 ( -0.771 4.167 0.588) 4.279 14.871 ( 0.078 -3.095 -1.850) 3.607 15.211 ( 2.883 6.775 -5.280) 9.060 15.327 ( 2.383 -2.958 -0.133) 3.801 15.376 ( -0.049 3.172 0.321) 3.189 15.451 ( 2.176 -6.254 -2.178) 6.971 15.550 ( 2.754 3.942 0.100) 4.810 15.587 ( 5.198 -0.019 1.666) 5.459 15.816 ( -4.352 10.867 4.022) 12.378 15.955 ( -0.348 2.000 5.382) 5.752 16.037 ( -1.587 -7.951 2.609) 8.517 16.054 ( -1.839 -4.316 3.881) 6.089 16.258 ( -3.513 5.727 -3.120) 7.408 16.361 ( -2.281 -5.008 -5.276) 7.624 16.573 ( 0.328 6.561 4.280) 7.841 16.713 ( -1.281 -8.372 0.199) 8.472 16.846 ( -3.492 -0.265 0.202) 3.508 16.858 ( -1.463 -1.897 0.708) 2.498 19.188 ( -0.517 2.524 2.526) 3.609 19.270 ( 0.314 -6.079 1.274) 6.219 19.403 ( 1.173 5.170 -0.645) 5.340 19.523 ( 3.086 -7.664 -1.693) 8.434 20.997 ( -2.432 6.219 -0.203) 6.681 21.091 ( -1.948 -3.964 0.384) 4.433 21.152 ( -2.418 2.963 1.051) 3.967 21.188 ( 0.101 -0.649 0.422) 0.781 25.007 ( -1.189 0.290 0.701) 1.410 25.019 ( -0.833 -0.887 0.728) 1.418 25.368 ( -3.007 1.419 -0.168) 3.329 25.392 ( -2.466 -1.129 0.644) 2.787 26.049 ( 0.420 1.608 2.226) 2.778 26.061 ( -0.430 -0.038 -1.508) 1.569 26.085 ( 1.728 1.017 -1.071) 2.273 26.088 ( 1.711 0.611 2.192) 2.847 26.617 ( -2.094 -0.272 -5.002) 5.430 26.637 ( -0.589 -2.529 -6.570) 7.065 26.988 ( 0.970 3.628 -0.231) 3.763 27.063 ( 0.765 -4.712 1.300) 4.948 27.199 ( -4.424 2.182 2.062) 5.346 27.246 ( -5.077 -2.849 3.042) 6.569 27.420 ( -3.791 3.166 4.710) 6.825 27.476 ( -1.847 -2.795 3.797) 5.064 27.561 ( -0.334 6.310 -2.975) 6.984 27.664 ( -0.210 -4.622 -4.453) 6.421 27.836 ( 2.100 6.329 4.995) 8.331 27.938 ( 0.512 -5.117 2.997) 5.952 28.180 ( 1.332 4.662 2.480) 5.446 28.231 ( -1.111 3.913 -2.640) 4.849 28.253 ( 0.708 -2.348 0.723) 2.557 28.324 ( -0.140 -5.955 0.327) 5.965 28.359 ( 0.385 6.061 -0.673) 6.110 28.444 ( 0.300 0.057 -0.158) 0.344 28.577 ( 3.104 1.521 -0.340) 3.474 28.664 ( 1.453 -6.298 -2.045) 6.779 28.893 ( 8.245 3.233 1.788) 9.034 28.983 ( 9.751 -5.915 0.461) 11.414 29.411 ( 5.712 9.222 -1.322) 10.928 29.546 ( 5.983 -3.664 -7.287) 10.115 29.731 ( -4.762 4.183 -0.586) 6.365 29.795 ( -2.043 -1.194 -0.963) 2.555 30.038 ( -1.356 6.412 4.325) 7.852 30.198 ( -6.491 -11.466 4.906) 14.060 30.459 ( 2.814 1.069 0.623) 3.074 30.540 ( 0.731 -7.170 1.027) 7.280 31.110 ( -6.030 8.611 -4.870) 11.585 31.259 ( -3.769 -7.792 -6.798) 11.006 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -13.476 20.085 -4.011) 24.517 1.314 ( -6.696 17.090 2.522) 18.528 1.375 ( -9.573 -9.990 -1.645) 13.933 1.733 ( -2.369 -18.471 -2.332) 18.768 1.993 ( -4.149 7.373 5.295) 9.981 2.078 ( -4.570 -2.164 3.512) 6.156 2.240 ( 0.543 5.842 -1.440) 6.042 2.348 ( 1.024 -0.688 -3.666) 3.868 2.364 ( -8.491 5.438 2.447) 10.376 2.506 ( -0.473 8.137 -3.479) 8.862 2.563 ( -6.600 -7.224 6.324) 11.651 2.647 ( 2.398 -6.460 -5.644) 8.907 2.780 ( 0.459 7.673 -4.073) 8.699 2.901 ( -4.152 -2.268 -0.107) 4.733 2.940 ( 2.067 0.644 1.801) 2.816 2.961 ( 1.303 -2.254 -0.163) 2.609 3.001 ( -2.025 3.710 -0.455) 4.251 3.044 ( -2.547 -0.314 1.101) 2.792 3.147 ( 2.910 3.349 4.343) 6.208 3.237 ( 0.808 0.218 1.914) 2.089 3.328 ( -0.411 -1.295 -3.015) 3.307 3.401 ( -4.590 -10.880 -0.382) 11.815 3.567 ( -5.494 3.021 3.034) 6.966 3.599 ( -3.841 6.250 6.239) 9.630 3.684 ( -3.285 -1.405 -1.366) 3.825 3.729 ( -4.392 -5.975 2.493) 7.823 3.929 ( 3.618 10.583 -3.814) 11.816 4.031 ( 1.926 1.144 1.061) 2.478 4.064 ( 0.590 1.987 3.613) 4.165 4.094 ( 5.670 1.610 0.722) 5.939 4.205 ( -0.108 -1.050 -0.418) 1.135 4.245 ( 3.134 2.682 0.001) 4.125 4.276 ( 5.061 -0.375 -1.923) 5.427 4.321 ( 1.186 -7.254 0.567) 7.372 4.426 ( 3.353 -3.387 -3.105) 5.688 4.457 ( 2.052 -5.373 1.878) 6.051 4.565 ( 0.739 8.913 -3.970) 9.786 4.664 ( 3.381 -1.073 -3.665) 5.100 4.749 ( -2.340 1.621 0.845) 2.969 4.810 ( -1.127 -5.172 -1.412) 5.478 4.880 ( 1.638 3.223 1.541) 3.930 4.954 ( 0.918 -3.779 -1.853) 4.307 4.961 ( 5.101 3.012 1.745) 6.176 5.017 ( 3.684 -1.089 0.323) 3.855 5.232 ( -1.268 0.960 -2.345) 2.833 5.264 ( -2.210 -1.825 -5.854) 6.518 5.396 ( 3.556 2.537 1.409) 4.590 5.429 ( 1.400 -0.773 3.302) 3.668 5.490 ( 0.403 2.974 1.929) 3.568 5.549 ( -1.609 0.749 0.052) 1.776 5.588 ( 1.216 -2.157 1.198) 2.751 5.641 ( 0.156 -3.189 -1.945) 3.738 5.713 ( -3.203 3.442 -1.010) 4.809 5.759 ( 5.552 0.684 -3.210) 6.450 5.816 ( 0.253 -4.478 -4.686) 6.487 5.834 ( 1.095 -4.739 1.037) 4.973 5.928 ( 4.770 2.529 1.065) 5.503 6.015 ( 4.255 -4.818 -3.209) 7.184 6.142 ( -1.178 0.826 -1.999) 2.463 6.169 ( -1.819 -2.417 0.416) 3.053 6.350 ( 2.555 2.872 2.768) 4.737 6.389 ( 0.878 -0.035 2.265) 2.429 6.453 ( 0.029 0.630 1.270) 1.418 6.492 ( -0.337 -2.544 -0.556) 2.626 6.741 ( -2.348 3.023 3.921) 5.479 6.810 ( -4.592 -4.773 4.452) 7.980 6.916 ( 3.241 5.113 -3.186) 6.841 7.012 ( 0.570 -4.711 -5.191) 7.033 7.295 ( 2.007 2.838 0.184) 3.481 7.317 ( -0.658 0.587 -1.325) 1.592 7.457 ( 1.356 4.448 -3.572) 5.863 7.519 ( -0.831 -2.390 -1.519) 2.951 7.619 ( 2.348 1.389 0.769) 2.834 7.651 ( 0.894 -1.325 -1.221) 2.012 7.806 ( 2.199 0.150 2.290) 3.178 7.814 ( -0.074 0.466 3.744) 3.774 8.259 ( -3.693 5.365 5.884) 8.778 8.324 ( 0.535 -1.359 0.801) 1.666 8.459 ( 7.178 2.371 -0.802) 7.602 8.497 ( 7.116 -1.154 0.198) 7.212 8.655 ( 2.750 -0.250 0.918) 2.910 8.679 ( 6.090 -3.268 -1.216) 7.017 8.745 ( 1.762 7.320 0.454) 7.543 8.869 ( 1.104 -4.873 1.584) 5.242 8.902 ( -6.743 2.711 -2.143) 7.577 8.956 ( -1.314 -3.279 -4.983) 6.108 9.036 ( -2.632 5.274 1.590) 6.105 9.142 ( 0.617 -4.319 -1.923) 4.768 9.221 ( 0.377 1.966 -3.919) 4.401 9.309 ( 1.477 -4.208 -1.322) 4.652 9.387 ( -2.400 7.052 2.008) 7.715 9.509 ( -3.084 -1.765 2.408) 4.293 9.524 ( -0.550 -0.667 -0.796) 1.175 9.584 ( 1.180 -8.956 -0.708) 9.061 9.861 ( -3.269 4.954 0.827) 5.992 9.932 ( -1.818 -2.142 1.818) 3.346 10.060 ( 1.370 1.500 -3.602) 4.135 10.121 ( -1.727 -4.507 -1.073) 4.944 10.278 ( -2.539 0.948 0.876) 2.848 10.314 ( -2.313 -2.353 1.005) 3.449 10.545 ( 0.704 2.971 0.647) 3.121 10.628 ( 1.228 -5.073 0.421) 5.236 10.715 ( -0.375 1.288 0.983) 1.663 10.774 ( -2.627 -3.843 1.562) 4.910 11.004 ( 0.743 2.181 -2.257) 3.225 11.058 ( 0.735 -4.188 -2.707) 5.040 11.336 ( -0.373 3.601 0.062) 3.621 11.393 ( -2.057 -1.725 0.385) 2.712 11.847 ( -2.331 1.211 4.322) 5.057 11.894 ( 0.230 -4.445 1.060) 4.576 12.058 ( -0.949 3.487 2.085) 4.172 12.128 ( 0.561 -3.548 -0.823) 3.685 12.267 ( 3.695 8.378 0.074) 9.157 12.336 ( 4.221 1.190 3.344) 5.515 12.339 ( 2.613 1.811 3.304) 4.585 12.407 ( 0.104 -4.116 0.051) 4.117 12.556 ( 0.661 4.096 0.343) 4.163 12.608 ( 1.685 0.622 -2.377) 2.979 12.667 ( 2.218 -3.645 1.097) 4.405 12.714 ( 1.396 -5.434 -0.029) 5.611 12.881 ( -0.678 7.845 0.513) 7.891 13.023 ( -1.577 -4.213 1.599) 4.774 13.054 ( -3.154 -0.117 0.331) 3.173 13.087 ( 0.518 -3.442 -2.035) 4.032 13.184 ( 0.509 5.422 1.401) 5.624 13.272 ( 4.867 2.335 -0.973) 5.486 13.281 ( -8.052 -3.414 2.017) 8.976 13.322 ( -1.530 -1.599 4.224) 4.769 13.458 ( -1.774 1.515 0.350) 2.359 13.510 ( 7.250 -3.837 2.086) 8.464 13.730 ( 3.319 3.525 -4.701) 6.748 13.816 ( 3.975 -5.922 -6.857) 9.894 13.950 ( 0.475 7.244 1.888) 7.501 14.095 ( -1.308 -9.009 1.708) 9.262 14.461 ( 0.120 8.397 -1.625) 8.554 14.522 ( -1.603 7.936 1.313) 8.202 14.559 ( 1.863 -1.065 -1.055) 2.391 14.661 ( 1.794 -6.346 2.367) 7.007 14.787 ( -0.896 6.589 -3.573) 7.549 14.868 ( 1.807 -2.563 -2.783) 4.193 15.216 ( 4.705 7.427 -6.523) 10.947 15.348 ( 1.265 -3.591 -3.340) 5.065 15.380 ( 0.908 3.339 -0.812) 3.554 15.455 ( 1.001 -5.872 -1.692) 6.193 15.607 ( 2.742 6.551 1.397) 7.238 15.720 ( 6.282 -5.476 1.043) 8.398 15.768 ( -4.786 11.867 3.281) 13.210 15.972 ( -6.304 -7.714 0.048) 9.963 15.993 ( -2.049 1.432 2.469) 3.513 16.051 ( -1.425 -6.917 3.400) 7.838 16.197 ( -1.737 3.654 -0.361) 4.062 16.291 ( -0.185 -5.338 -3.556) 6.417 16.594 ( 0.186 3.459 0.197) 3.469 16.665 ( -2.673 -4.247 -1.648) 5.282 16.823 ( -0.645 2.173 -0.864) 2.426 16.860 ( -0.131 -1.936 0.632) 2.040 19.201 ( -1.643 3.670 2.263) 4.614 19.299 ( 0.614 -6.471 2.149) 6.846 19.386 ( -0.714 6.931 -3.254) 7.690 19.537 ( 1.714 -9.314 -4.016) 10.286 20.966 ( -0.737 6.253 0.414) 6.309 21.063 ( -0.556 -4.323 0.229) 4.364 21.107 ( -3.172 4.182 0.123) 5.251 21.174 ( -2.573 -2.972 1.667) 4.270 25.007 ( -0.873 0.263 2.506) 2.667 25.025 ( -0.600 -1.933 2.906) 3.542 25.331 ( -2.071 1.747 1.604) 3.148 25.364 ( -2.397 -1.865 2.116) 3.702 26.032 ( 0.330 1.270 -3.054) 3.325 26.041 ( 0.246 0.269 -1.981) 2.014 26.137 ( 0.957 1.398 2.635) 3.132 26.158 ( 2.276 -0.469 2.795) 3.635 26.520 ( -2.327 3.015 -2.844) 4.753 26.587 ( 0.473 -3.756 -2.175) 4.365 27.013 ( 0.715 4.163 1.412) 4.454 27.085 ( -1.027 -3.426 1.727) 3.971 27.149 ( -4.113 1.021 2.262) 4.804 27.184 ( -4.110 -2.815 2.402) 5.530 27.394 ( -2.434 4.276 1.172) 5.058 27.465 ( -1.460 -3.043 -0.063) 3.375 27.547 ( 0.335 4.326 -0.991) 4.450 27.628 ( 0.505 -4.184 -1.940) 4.640 27.925 ( -0.942 1.638 2.743) 3.331 27.965 ( -0.392 -2.136 3.507) 4.125 28.183 ( 0.861 6.522 -3.296) 7.358 28.232 ( 1.685 3.747 0.779) 4.181 28.277 ( 0.855 -0.379 1.863) 2.085 28.323 ( -0.533 -5.964 -0.474) 6.007 28.375 ( 1.328 1.687 0.096) 2.149 28.437 ( -0.443 0.244 -0.444) 0.673 28.635 ( 4.776 -0.790 -0.922) 4.928 28.688 ( 4.844 -4.288 -1.974) 6.764 29.077 ( 8.911 5.248 4.419) 11.246 29.181 ( 11.142 -5.306 2.103) 12.519 29.414 ( -0.123 5.858 -7.623) 9.614 29.535 ( -0.360 -7.104 -10.593) 12.760 29.659 ( -1.414 7.100 3.517) 8.049 29.748 ( -3.682 -2.488 3.313) 5.543 30.017 ( -5.620 3.931 4.172) 8.028 30.091 ( -8.108 -4.946 4.679) 10.588 30.547 ( 6.735 1.299 -1.043) 6.938 30.612 ( 5.713 -5.405 0.264) 7.869 30.967 ( -5.674 7.756 -3.366) 10.183 31.102 ( -7.122 -6.861 -5.783) 11.456 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -10.632 0.000 25.730) 27.840 1.396 ( -5.960 0.000 25.371) 26.062 1.596 ( 7.366 0.000 -14.919) 16.639 1.960 ( 8.141 0.000 -20.214) 21.792 2.183 ( 3.379 0.000 21.201) 21.469 2.197 ( 5.411 0.000 2.809) 6.096 2.220 ( 11.358 0.000 20.095) 23.083 2.379 ( -2.731 0.000 3.527) 4.461 2.419 ( 3.107 0.000 -5.088) 5.962 2.483 ( 2.755 0.000 2.400) 3.653 2.593 ( -3.144 0.000 0.508) 3.184 2.705 ( 0.804 0.000 0.693) 1.061 2.786 ( -0.319 0.000 4.762) 4.772 2.846 ( 2.932 0.000 6.477) 7.110 2.871 ( -3.419 0.000 -3.914) 5.197 2.972 ( -3.943 0.000 0.425) 3.966 2.978 ( -1.066 0.000 -1.087) 1.523 3.085 ( -2.777 0.000 -13.997) 14.270 3.122 ( -4.662 0.000 -1.448) 4.882 3.130 ( 4.686 0.000 0.218) 4.691 3.298 ( -5.525 0.000 3.041) 6.307 3.339 ( 2.639 0.000 0.591) 2.704 3.513 ( 5.284 0.000 -4.540) 6.967 3.586 ( 1.332 0.000 -8.273) 8.379 3.655 ( 6.391 0.000 3.800) 7.435 3.759 ( -4.844 0.000 -8.829) 10.070 3.850 ( 6.367 0.000 4.541) 7.821 3.934 ( -2.514 0.000 -5.635) 6.170 4.032 ( -0.534 0.000 4.458) 4.490 4.034 ( 0.114 0.000 5.670) 5.672 4.179 ( -6.338 0.000 -3.462) 7.222 4.181 ( -5.102 0.000 -7.417) 9.002 4.325 ( 0.839 0.000 7.293) 7.341 4.343 ( -1.333 0.000 3.798) 4.025 4.509 ( -0.463 0.000 -4.596) 4.619 4.510 ( 0.777 0.000 -0.781) 1.101 4.581 ( -8.995 0.000 2.180) 9.256 4.644 ( 10.662 0.000 1.508) 10.768 4.798 ( 3.662 0.000 1.880) 4.116 4.828 ( 0.918 0.000 2.698) 2.850 4.852 ( -1.890 0.000 4.372) 4.763 4.930 ( 3.080 0.000 -6.043) 6.782 4.985 ( 0.959 0.000 -0.797) 1.247 5.040 ( 3.423 0.000 -1.240) 3.641 5.050 ( -3.800 0.000 -4.336) 5.765 5.108 ( -7.150 0.000 -8.841) 11.371 5.241 ( -1.582 0.000 2.692) 3.122 5.323 ( 1.630 0.000 -4.299) 4.597 5.375 ( -4.262 0.000 -0.976) 4.372 5.432 ( 2.119 0.000 -6.213) 6.564 5.605 ( 2.837 0.000 1.083) 3.037 5.613 ( -4.871 0.000 -0.391) 4.887 5.780 ( 0.510 0.000 4.529) 4.557 5.845 ( -0.281 0.000 0.349) 0.448 5.939 ( 0.341 0.000 -3.089) 3.107 5.940 ( -0.995 0.000 -3.132) 3.286 5.992 ( 3.387 0.000 -0.503) 3.424 6.015 ( -2.458 0.000 -1.685) 2.980 6.147 ( -0.319 0.000 1.095) 1.140 6.168 ( 1.706 0.000 -1.559) 2.311 6.318 ( -1.306 0.000 3.031) 3.301 6.351 ( 0.179 0.000 0.607) 0.633 6.484 ( 0.890 0.000 2.029) 2.216 6.514 ( 0.268 0.000 -0.825) 0.867 6.873 ( -2.214 0.000 6.513) 6.879 6.955 ( 3.337 0.000 -1.387) 3.614 7.052 ( 2.312 0.000 9.226) 9.511 7.095 ( -1.361 0.000 1.581) 2.086 7.145 ( -2.541 0.000 -2.943) 3.888 7.187 ( -0.951 0.000 -4.346) 4.449 7.384 ( 5.241 0.000 1.242) 5.386 7.421 ( -1.238 0.000 -2.257) 2.574 7.737 ( 3.790 0.000 2.997) 4.831 7.742 ( -1.257 0.000 1.956) 2.325 7.817 ( 0.168 0.000 2.746) 2.751 7.845 ( -3.680 0.000 -1.798) 4.096 8.272 ( 0.602 0.000 -4.122) 4.166 8.300 ( 8.473 0.000 -5.929) 10.341 8.438 ( 6.220 0.000 0.413) 6.234 8.455 ( -7.086 0.000 -0.999) 7.156 8.611 ( -1.852 0.000 5.706) 5.999 8.708 ( -1.114 0.000 -3.539) 3.710 8.782 ( -6.309 0.000 1.189) 6.420 8.788 ( -0.351 0.000 1.171) 1.222 8.938 ( 2.043 0.000 -0.467) 2.095 8.953 ( 2.026 0.000 -2.009) 2.853 9.057 ( -0.870 0.000 -0.864) 1.226 9.084 ( 4.720 0.000 -3.267) 5.740 9.262 ( 1.026 0.000 1.315) 1.668 9.273 ( -3.361 0.000 -0.372) 3.381 9.383 ( -2.065 0.000 3.539) 4.098 9.459 ( 2.702 0.000 -3.736) 4.610 9.582 ( -3.139 0.000 8.238) 8.815 9.718 ( -2.805 0.000 -1.403) 3.136 9.831 ( 2.617 0.000 -1.265) 2.907 9.913 ( 3.982 0.000 -6.303) 7.455 10.002 ( -0.646 0.000 4.010) 4.062 10.108 ( 0.068 0.000 -5.853) 5.853 10.354 ( -1.835 0.000 2.484) 3.088 10.368 ( -1.956 0.000 2.036) 2.823 10.751 ( -1.924 0.000 3.436) 3.938 10.809 ( 6.466 0.000 3.034) 7.142 10.896 ( -1.468 0.000 -0.652) 1.606 10.907 ( -1.843 0.000 -7.500) 7.723 10.940 ( 2.871 0.000 6.904) 7.477 11.111 ( -2.114 0.000 -9.308) 9.545 11.130 ( 4.427 0.000 7.723) 8.902 11.272 ( -2.782 0.000 -6.251) 6.842 11.957 ( 2.454 0.000 2.324) 3.380 11.991 ( -4.307 0.000 -1.382) 4.523 12.162 ( -3.500 0.000 3.072) 4.657 12.215 ( 3.661 0.000 -1.787) 4.074 12.292 ( 1.120 0.000 0.885) 1.427 12.301 ( 0.270 0.000 -0.568) 0.629 12.318 ( 1.316 0.000 1.274) 1.832 12.344 ( -2.431 0.000 -1.055) 2.650 12.454 ( -0.615 0.000 7.326) 7.352 12.607 ( 3.311 0.000 -6.560) 7.348 12.770 ( -0.823 0.000 3.856) 3.943 12.809 ( -5.126 0.000 1.822) 5.440 12.882 ( -2.965 0.000 -1.581) 3.360 12.916 ( 8.634 0.000 -3.578) 9.346 13.013 ( 4.767 0.000 -0.366) 4.781 13.058 ( -6.715 0.000 -4.168) 7.904 13.195 ( -5.720 0.000 3.115) 6.513 13.209 ( 1.484 0.000 1.690) 2.249 13.418 ( -1.439 0.000 11.012) 11.105 13.508 ( 0.155 0.000 -1.283) 1.293 13.532 ( -1.567 0.000 3.793) 4.104 13.626 ( 6.275 0.000 1.982) 6.580 13.659 ( -1.239 0.000 -3.165) 3.399 13.758 ( 6.025 0.000 -12.639) 14.002 14.107 ( 5.928 0.000 10.630) 12.171 14.131 ( 0.474 0.000 0.593) 0.760 14.157 ( -6.922 0.000 0.112) 6.923 14.323 ( 2.907 0.000 -5.985) 6.653 14.377 ( -3.111 0.000 -1.505) 3.456 14.435 ( -1.253 0.000 -4.534) 4.704 14.846 ( -6.497 0.000 2.284) 6.887 14.856 ( 4.058 0.000 1.028) 4.186 15.072 ( 3.812 0.000 3.847) 5.416 15.174 ( -5.518 0.000 -5.667) 7.909 15.317 ( -1.581 0.000 0.016) 1.581 15.330 ( 0.790 0.000 -1.896) 2.054 15.516 ( -0.966 0.000 3.178) 3.322 15.562 ( 0.686 0.000 -1.060) 1.262 15.965 ( 0.890 0.000 1.588) 1.820 15.995 ( -16.425 0.000 5.890) 17.449 16.018 ( -2.348 0.000 -2.611) 3.512 16.145 ( 5.270 0.000 -7.842) 9.448 16.286 ( 4.617 0.000 7.693) 8.972 16.407 ( -4.201 0.000 -5.164) 6.657 16.438 ( 1.181 0.000 3.439) 3.636 16.546 ( 3.501 0.000 -6.340) 7.242 16.734 ( -1.627 0.000 1.046) 1.935 16.740 ( 1.034 0.000 0.488) 1.143 19.077 ( -2.647 0.000 1.802) 3.202 19.126 ( 2.031 0.000 -3.257) 3.839 19.570 ( 0.559 0.000 4.031) 4.070 19.646 ( -0.755 0.000 -3.486) 3.566 20.856 ( -0.175 0.000 2.891) 2.896 20.910 ( -0.226 0.000 -2.520) 2.530 21.253 ( -1.561 0.000 3.700) 4.016 21.328 ( 2.768 0.000 -3.695) 4.617 25.045 ( -0.644 0.000 3.166) 3.231 25.126 ( -0.584 0.000 -5.016) 5.050 25.441 ( 4.100 0.000 4.689) 6.229 25.484 ( -6.151 0.000 0.216) 6.155 25.858 ( -0.652 0.000 -0.209) 0.685 25.893 ( -0.348 0.000 -3.498) 3.515 26.145 ( 0.445 0.000 2.199) 2.244 26.168 ( -0.437 0.000 -0.046) 0.439 26.676 ( 11.467 0.000 3.692) 12.047 26.711 ( -2.044 0.000 0.988) 2.270 26.993 ( 0.225 0.000 0.216) 0.312 27.020 ( -2.135 0.000 -2.416) 3.224 27.088 ( -4.040 0.000 6.498) 7.652 27.205 ( -0.117 0.000 -4.358) 4.360 27.415 ( 0.874 0.000 0.254) 0.910 27.448 ( -4.299 0.000 -0.322) 4.311 27.448 ( 1.294 0.000 -1.550) 2.019 27.460 ( 0.218 0.000 -2.936) 2.944 27.871 ( 4.638 0.000 4.560) 6.504 27.973 ( -3.853 0.000 -5.953) 7.091 28.096 ( -3.461 0.000 -0.052) 3.461 28.103 ( 2.047 0.000 -0.783) 2.192 28.294 ( -3.081 0.000 3.025) 4.318 28.349 ( 7.274 0.000 -2.657) 7.744 28.506 ( 4.140 0.000 0.881) 4.233 28.529 ( -3.050 0.000 -1.178) 3.270 28.913 ( 1.062 0.000 5.852) 5.947 28.989 ( -3.618 0.000 -1.233) 3.823 29.106 ( -12.229 0.000 4.345) 12.978 29.193 ( 5.413 0.000 -4.318) 6.925 29.328 ( 5.180 0.000 0.561) 5.210 29.371 ( -0.037 0.000 -3.368) 3.368 29.756 ( -11.249 0.000 3.227) 11.703 29.805 ( 15.549 0.000 -1.769) 15.649 30.055 ( -4.360 0.000 7.451) 8.633 30.176 ( 3.058 0.000 -4.817) 5.706 30.577 ( 8.513 0.000 -0.016) 8.513 30.603 ( -9.353 0.000 -2.421) 9.662 30.926 ( -5.672 0.000 2.637) 6.255 30.987 ( 10.268 0.000 -3.282) 10.780 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -3.969 0.000 18.021) 18.453 1.471 ( -5.390 0.000 17.774) 18.574 1.601 ( 9.449 0.000 -11.927) 15.216 1.715 ( -7.984 0.000 -30.484) 31.512 2.074 ( -10.424 0.000 -7.991) 13.134 2.211 ( -4.166 0.000 -11.322) 12.064 2.324 ( -3.837 0.000 -1.816) 4.245 2.394 ( -2.924 0.000 -1.915) 3.496 2.436 ( -2.541 0.000 1.264) 2.838 2.580 ( 5.420 0.000 -3.667) 6.544 2.697 ( 2.030 0.000 -5.826) 6.169 2.735 ( 3.463 0.000 1.790) 3.898 2.800 ( 3.162 0.000 -5.866) 6.664 2.851 ( 2.442 0.000 10.975) 11.243 2.902 ( 2.337 0.000 -8.095) 8.426 2.938 ( 1.694 0.000 5.614) 5.864 3.016 ( -4.411 0.000 -2.114) 4.892 3.030 ( 6.549 0.000 15.232) 16.580 3.080 ( 5.065 0.000 -0.975) 5.158 3.179 ( 1.775 0.000 0.327) 1.805 3.279 ( -1.478 0.000 6.452) 6.620 3.388 ( 0.692 0.000 1.290) 1.464 3.492 ( 2.697 0.000 -12.366) 12.657 3.606 ( 6.654 0.000 0.768) 6.699 3.643 ( -1.229 0.000 -7.142) 7.247 3.789 ( 5.754 0.000 2.776) 6.389 3.827 ( -2.658 0.000 -6.361) 6.894 3.955 ( 4.166 0.000 3.377) 5.363 4.013 ( -5.834 0.000 -0.004) 5.834 4.047 ( -3.436 0.000 -4.877) 5.966 4.152 ( -0.544 0.000 12.319) 12.331 4.184 ( 3.471 0.000 7.189) 7.983 4.335 ( -0.509 0.000 2.344) 2.399 4.398 ( 1.214 0.000 0.656) 1.380 4.472 ( -0.312 0.000 -0.351) 0.470 4.479 ( -0.356 0.000 -1.084) 1.142 4.533 ( -0.534 0.000 -0.148) 0.554 4.754 ( -3.642 0.000 -2.298) 4.306 4.780 ( -0.590 0.000 -7.583) 7.606 4.814 ( 0.354 0.000 0.400) 0.534 4.855 ( -1.673 0.000 1.128) 2.018 4.930 ( -2.155 0.000 2.595) 3.373 4.967 ( 5.011 0.000 -5.380) 7.352 5.016 ( 4.223 0.000 -0.644) 4.272 5.037 ( 0.699 0.000 4.622) 4.675 5.134 ( -0.003 0.000 5.692) 5.692 5.242 ( -2.176 0.000 3.760) 4.345 5.287 ( -0.397 0.000 -3.719) 3.740 5.314 ( -3.450 0.000 4.220) 5.451 5.433 ( 2.994 0.000 -2.030) 3.617 5.553 ( -3.425 0.000 1.001) 3.568 5.662 ( 1.316 0.000 2.751) 3.049 5.809 ( -2.302 0.000 -2.169) 3.163 5.835 ( -4.376 0.000 4.438) 6.232 5.877 ( 2.473 0.000 -2.889) 3.803 5.879 ( -2.768 0.000 -1.344) 3.077 5.991 ( -1.325 0.000 -0.342) 1.369 6.049 ( 1.339 0.000 0.932) 1.632 6.177 ( 3.414 0.000 0.974) 3.551 6.179 ( 1.428 0.000 -1.118) 1.813 6.330 ( -0.829 0.000 2.581) 2.711 6.352 ( 0.479 0.000 -0.792) 0.925 6.491 ( -1.426 0.000 -2.381) 2.775 6.511 ( 1.242 0.000 0.415) 1.310 6.845 ( -6.026 0.000 3.119) 6.785 6.886 ( -7.557 0.000 -4.332) 8.711 7.077 ( -3.141 0.000 -0.359) 3.162 7.086 ( -0.765 0.000 -2.045) 2.184 7.147 ( 2.168 0.000 -0.557) 2.238 7.164 ( 1.749 0.000 5.244) 5.528 7.381 ( -0.628 0.000 -3.544) 3.599 7.468 ( 4.446 0.000 -3.380) 5.584 7.717 ( -0.334 0.000 -1.755) 1.786 7.763 ( -2.650 0.000 -0.930) 2.809 7.835 ( 2.783 0.000 3.641) 4.583 7.866 ( 1.347 0.000 1.884) 2.316 8.254 ( 2.174 0.000 -3.904) 4.468 8.314 ( -2.205 0.000 -3.810) 4.402 8.329 ( -2.737 0.000 -4.034) 4.874 8.525 ( -1.111 0.000 1.604) 1.951 8.575 ( -10.161 0.000 -0.886) 10.200 8.640 ( -1.603 0.000 7.080) 7.259 8.740 ( 2.265 0.000 -0.749) 2.386 8.806 ( -2.155 0.000 4.925) 5.376 8.873 ( -6.799 0.000 -0.780) 6.844 8.932 ( -1.515 0.000 -3.459) 3.776 9.033 ( 1.619 0.000 -4.385) 4.674 9.090 ( 0.069 0.000 1.527) 1.529 9.246 ( -0.572 0.000 0.331) 0.660 9.268 ( -2.382 0.000 4.407) 5.010 9.465 ( 5.969 0.000 1.911) 6.268 9.484 ( 5.567 0.000 -6.447) 8.518 9.646 ( -1.749 0.000 9.113) 9.280 9.698 ( 2.283 0.000 -1.836) 2.930 9.852 ( 1.045 0.000 -1.012) 1.455 9.906 ( 3.921 0.000 -7.875) 8.797 10.037 ( -1.602 0.000 6.018) 6.228 10.063 ( 1.506 0.000 -4.557) 4.799 10.319 ( -6.781 0.000 2.420) 7.200 10.356 ( -0.880 0.000 2.789) 2.925 10.707 ( -1.818 0.000 -1.923) 2.646 10.802 ( -2.935 0.000 -3.902) 4.882 10.864 ( -2.526 0.000 0.744) 2.633 10.922 ( 2.544 0.000 3.076) 3.992 10.976 ( -1.985 0.000 -8.196) 8.433 11.054 ( 1.242 0.000 8.175) 8.268 11.142 ( -4.201 0.000 -7.100) 8.250 11.277 ( 4.141 0.000 6.154) 7.418 11.934 ( -1.450 0.000 0.219) 1.466 12.030 ( 2.646 0.000 1.786) 3.192 12.106 ( -4.831 0.000 1.702) 5.122 12.197 ( -2.860 0.000 -1.799) 3.379 12.298 ( 0.748 0.000 0.131) 0.759 12.301 ( 0.922 0.000 0.989) 1.352 12.345 ( 2.996 0.000 -3.139) 4.339 12.392 ( 3.870 0.000 -0.213) 3.876 12.522 ( -0.295 0.000 5.570) 5.578 12.588 ( 4.646 0.000 -8.402) 9.601 12.747 ( -2.571 0.000 0.852) 2.708 12.826 ( 0.250 0.000 4.475) 4.482 12.869 ( 3.036 0.000 -2.447) 3.899 12.921 ( -5.397 0.000 0.717) 5.444 13.053 ( 5.817 0.000 0.172) 5.820 13.128 ( -0.753 0.000 -0.274) 0.801 13.135 ( 6.356 0.000 3.749) 7.379 13.205 ( -4.390 0.000 1.886) 4.779 13.438 ( -8.747 0.000 12.080) 14.914 13.445 ( -5.571 0.000 -4.602) 7.225 13.539 ( 2.664 0.000 -2.440) 3.612 13.555 ( -2.408 0.000 -5.589) 6.086 13.703 ( 1.160 0.000 -0.359) 1.214 13.708 ( 2.836 0.000 -7.408) 7.933 14.049 ( -8.507 0.000 -8.324) 11.902 14.168 ( 2.786 0.000 2.357) 3.649 14.238 ( 0.334 0.000 1.223) 1.267 14.356 ( 10.934 0.000 1.838) 11.087 14.388 ( 0.255 0.000 0.630) 0.680 14.414 ( 1.483 0.000 1.286) 1.964 14.738 ( -7.408 0.000 1.423) 7.543 14.883 ( -1.732 0.000 1.630) 2.378 15.041 ( -3.149 0.000 -3.188) 4.481 15.186 ( 1.681 0.000 5.566) 5.814 15.317 ( 1.872 0.000 2.077) 2.796 15.352 ( 1.744 0.000 0.251) 1.762 15.517 ( -1.585 0.000 2.329) 2.817 15.531 ( -2.207 0.000 -1.928) 2.930 15.877 ( -9.018 0.000 11.355) 14.500 15.948 ( -2.297 0.000 -0.353) 2.324 15.969 ( -4.807 0.000 2.786) 5.557 16.184 ( 4.879 0.000 0.497) 4.904 16.295 ( -4.299 0.000 -4.961) 6.565 16.447 ( 2.833 0.000 2.794) 3.979 16.535 ( 8.003 0.000 4.603) 9.232 16.579 ( 8.417 0.000 -8.801) 12.178 16.767 ( 4.097 0.000 1.027) 4.224 16.808 ( 5.851 0.000 0.145) 5.853 19.088 ( 0.808 0.000 1.658) 1.844 19.170 ( 5.528 0.000 0.074) 5.529 19.586 ( -1.682 0.000 -3.992) 4.332 19.604 ( -1.606 0.000 4.151) 4.451 20.897 ( 1.252 0.000 -2.715) 2.990 20.904 ( 2.146 0.000 3.211) 3.862 21.225 ( -4.961 0.000 2.135) 5.401 21.284 ( -2.597 0.000 -3.681) 4.504 25.069 ( -1.166 0.000 4.006) 4.172 25.079 ( -0.133 0.000 -2.427) 2.431 25.424 ( -1.087 0.000 -1.362) 1.742 25.581 ( 6.335 0.000 3.656) 7.314 25.864 ( -0.356 0.000 2.478) 2.503 25.873 ( 0.595 0.000 -0.905) 1.083 26.150 ( -1.022 0.000 -1.194) 1.572 26.166 ( 0.076 0.000 1.364) 1.367 26.604 ( -3.674 0.000 -7.500) 8.351 26.791 ( 2.806 0.000 -6.019) 6.641 27.021 ( 2.802 0.000 -1.269) 3.076 27.051 ( 3.955 0.000 2.565) 4.714 27.185 ( 5.236 0.000 9.003) 10.415 27.234 ( 8.200 0.000 -0.787) 8.238 27.388 ( -3.160 0.000 2.494) 4.026 27.410 ( -0.713 0.000 -1.364) 1.539 27.451 ( 1.213 0.000 2.306) 2.606 27.499 ( 2.126 0.000 -0.119) 2.129 27.821 ( -6.281 0.000 -6.208) 8.831 27.965 ( 0.933 0.000 4.849) 4.938 28.041 ( -3.491 0.000 1.240) 3.704 28.137 ( 1.218 0.000 0.438) 1.295 28.235 ( -4.024 0.000 -1.794) 4.406 28.386 ( 1.964 0.000 -3.605) 4.105 28.456 ( -2.898 0.000 -2.929) 4.120 28.567 ( 1.748 0.000 0.340) 1.781 28.842 ( -9.605 0.000 -3.313) 10.160 28.862 ( -10.556 0.000 8.706) 13.683 29.055 ( -5.385 0.000 5.341) 7.585 29.165 ( -14.215 0.000 2.001) 14.355 29.283 ( -2.861 0.000 -4.808) 5.595 29.358 ( 5.728 0.000 -3.011) 6.471 29.676 ( 2.646 0.000 -0.870) 2.785 29.887 ( -1.528 0.000 -2.387) 2.834 30.135 ( 3.541 0.000 8.019) 8.766 30.189 ( 2.367 0.000 -7.304) 7.678 30.436 ( -7.249 0.000 0.660) 7.279 30.766 ( 12.337 0.000 -0.532) 12.348 30.883 ( -1.169 0.000 3.530) 3.718 31.137 ( 12.360 0.000 -8.981) 15.278 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.172 0.000 -18.327) 18.327 1.462 ( 0.787 0.000 4.444) 4.513 1.598 ( 4.725 0.000 6.891) 8.355 1.693 ( 11.277 0.000 -4.981) 12.328 1.881 ( -4.378 0.000 -0.636) 4.424 1.968 ( -3.559 0.000 -13.302) 13.770 2.180 ( -7.573 0.000 0.236) 7.577 2.283 ( -10.338 0.000 6.477) 12.200 2.492 ( 2.463 0.000 4.008) 4.704 2.568 ( -4.334 0.000 -4.185) 6.025 2.600 ( -1.961 0.000 -4.745) 5.134 2.735 ( 0.201 0.000 -2.186) 2.195 2.823 ( -2.369 0.000 -0.519) 2.425 2.918 ( -0.249 0.000 2.221) 2.235 2.933 ( 4.824 0.000 -2.250) 5.323 3.016 ( 0.901 0.000 3.704) 3.812 3.036 ( 22.032 0.000 -14.773) 26.527 3.138 ( -1.315 0.000 0.907) 1.598 3.154 ( 5.983 0.000 -1.422) 6.150 3.363 ( 3.220 0.000 5.071) 6.007 3.378 ( -0.386 0.000 10.800) 10.807 3.384 ( 3.228 0.000 4.289) 5.368 3.421 ( 2.922 0.000 -14.330) 14.625 3.625 ( 7.975 0.000 -5.860) 9.897 3.738 ( 0.292 0.000 -3.056) 3.070 3.739 ( 5.323 0.000 0.715) 5.370 3.855 ( -1.125 0.000 2.149) 2.426 3.944 ( -8.038 0.000 7.142) 10.752 3.976 ( 2.231 0.000 -5.569) 5.999 4.086 ( 2.772 0.000 6.445) 7.016 4.183 ( -4.338 0.000 3.146) 5.358 4.196 ( -4.993 0.000 3.790) 6.268 4.406 ( -0.847 0.000 -1.672) 1.874 4.429 ( 2.097 0.000 -0.833) 2.257 4.441 ( -0.087 0.000 -0.686) 0.691 4.446 ( -0.493 0.000 -6.231) 6.251 4.552 ( 1.714 0.000 0.208) 1.727 4.619 ( -4.449 0.000 -6.721) 8.060 4.699 ( -0.650 0.000 0.793) 1.025 4.795 ( 1.290 0.000 -4.297) 4.486 4.885 ( 0.268 0.000 7.253) 7.258 4.958 ( -3.481 0.000 3.995) 5.299 5.017 ( -7.428 0.000 2.900) 7.974 5.019 ( 0.393 0.000 -2.713) 2.742 5.098 ( 10.923 0.000 -4.406) 11.778 5.130 ( -2.909 0.000 3.746) 4.743 5.238 ( -4.195 0.000 1.238) 4.373 5.311 ( 3.256 0.000 3.706) 4.933 5.312 ( -3.117 0.000 5.059) 5.942 5.463 ( 0.893 0.000 -0.910) 1.275 5.495 ( -4.467 0.000 1.615) 4.750 5.673 ( -2.680 0.000 1.596) 3.119 5.732 ( -4.346 0.000 -0.371) 4.362 5.771 ( -2.916 0.000 0.272) 2.928 5.856 ( 0.372 0.000 0.742) 0.830 5.930 ( 1.961 0.000 1.242) 2.322 5.946 ( -2.832 0.000 -0.848) 2.956 6.031 ( -2.145 0.000 -0.914) 2.331 6.198 ( 0.809 0.000 0.486) 0.944 6.276 ( 3.879 0.000 3.031) 4.923 6.342 ( -0.390 0.000 2.141) 2.176 6.367 ( 1.586 0.000 -0.217) 1.601 6.432 ( -2.088 0.000 -1.588) 2.623 6.542 ( 1.554 0.000 -0.066) 1.555 6.702 ( -6.168 0.000 -4.236) 7.482 6.753 ( -5.436 0.000 -0.183) 5.439 7.034 ( -2.254 0.000 0.867) 2.415 7.062 ( 1.254 0.000 -1.664) 2.084 7.205 ( 2.866 0.000 -1.191) 3.104 7.224 ( 0.108 0.000 3.737) 3.739 7.335 ( -0.346 0.000 -0.531) 0.633 7.444 ( 0.453 0.000 -7.685) 7.698 7.690 ( 0.278 0.000 -5.285) 5.292 7.754 ( 1.110 0.000 0.345) 1.162 7.882 ( -0.303 0.000 0.493) 0.579 7.898 ( 2.218 0.000 -0.587) 2.295 8.218 ( -6.710 0.000 1.352) 6.845 8.261 ( 1.319 0.000 -3.653) 3.884 8.262 ( -2.549 0.000 0.241) 2.560 8.315 ( -13.204 0.000 0.317) 13.207 8.499 ( -2.330 0.000 -3.069) 3.853 8.685 ( -8.014 0.000 -2.984) 8.552 8.708 ( -0.157 0.000 7.798) 7.799 8.822 ( 3.898 0.000 2.218) 4.484 8.829 ( -2.633 0.000 3.440) 4.332 8.874 ( -1.636 0.000 -0.601) 1.743 9.066 ( 6.488 0.000 -3.486) 7.365 9.133 ( -0.653 0.000 6.211) 6.245 9.245 ( 1.192 0.000 -1.317) 1.776 9.296 ( -0.720 0.000 6.359) 6.400 9.524 ( -1.220 0.000 -0.803) 1.461 9.524 ( 6.438 0.000 -6.092) 8.863 9.685 ( -1.208 0.000 5.431) 5.564 9.734 ( 3.691 0.000 -2.072) 4.233 9.862 ( 1.206 0.000 0.646) 1.368 9.891 ( 1.594 0.000 -4.787) 5.045 10.028 ( -7.162 0.000 5.797) 9.214 10.097 ( 7.365 0.000 -3.802) 8.289 10.246 ( -2.030 0.000 2.419) 3.158 10.378 ( 0.072 0.000 3.003) 3.003 10.688 ( 2.039 0.000 -3.604) 4.140 10.733 ( -1.677 0.000 -1.459) 2.223 10.763 ( -6.821 0.000 -1.874) 7.073 10.921 ( 1.034 0.000 -2.235) 2.463 11.015 ( 3.177 0.000 4.750) 5.715 11.038 ( -1.279 0.000 -2.044) 2.411 11.141 ( -0.460 0.000 7.581) 7.595 11.375 ( 0.657 0.000 3.859) 3.914 11.932 ( 0.566 0.000 0.072) 0.571 12.043 ( -1.401 0.000 -1.294) 1.907 12.050 ( -2.548 0.000 0.465) 2.590 12.154 ( 0.322 0.000 -2.113) 2.137 12.289 ( -0.417 0.000 -4.434) 4.453 12.338 ( 1.490 0.000 0.612) 1.611 12.339 ( 0.353 0.000 -3.897) 3.913 12.418 ( 2.364 0.000 -4.701) 5.262 12.527 ( -1.696 0.000 -1.937) 2.574 12.593 ( 3.199 0.000 -6.864) 7.573 12.745 ( 1.034 0.000 1.739) 2.023 12.795 ( -2.769 0.000 0.024) 2.769 12.915 ( 4.110 0.000 -1.077) 4.249 12.924 ( -3.821 0.000 6.913) 7.899 13.038 ( -3.384 0.000 4.770) 5.849 13.117 ( -4.729 0.000 0.363) 4.743 13.198 ( -6.609 0.000 -2.724) 7.148 13.223 ( 3.539 0.000 -0.051) 3.539 13.362 ( 5.568 0.000 4.670) 7.268 13.432 ( 1.363 0.000 1.893) 2.333 13.546 ( 4.425 0.000 -3.801) 5.833 13.555 ( 0.103 0.000 2.652) 2.654 13.684 ( -0.526 0.000 -2.728) 2.778 13.720 ( 3.870 0.000 -1.820) 4.277 13.855 ( -4.123 0.000 -5.373) 6.773 14.109 ( -7.902 0.000 2.158) 8.191 14.224 ( -3.503 0.000 -5.301) 6.353 14.414 ( -1.384 0.000 -2.010) 2.441 14.491 ( 8.852 0.000 4.788) 10.064 14.496 ( -0.467 0.000 0.693) 0.836 14.712 ( 5.955 0.000 1.134) 6.062 14.824 ( -7.111 0.000 0.085) 7.111 15.019 ( 0.943 0.000 2.081) 2.284 15.223 ( -0.195 0.000 2.218) 2.227 15.388 ( 2.054 0.000 0.367) 2.087 15.405 ( 1.276 0.000 5.037) 5.196 15.469 ( -2.587 0.000 -1.462) 2.971 15.517 ( -0.666 0.000 1.666) 1.794 15.824 ( -8.122 0.000 6.599) 10.465 15.884 ( -6.735 0.000 1.389) 6.877 15.977 ( 1.854 0.000 4.823) 5.167 16.172 ( -3.861 0.000 -3.261) 5.054 16.260 ( 3.522 0.000 -1.138) 3.701 16.448 ( -2.854 0.000 -0.535) 2.904 16.638 ( 9.089 0.000 -9.618) 13.233 16.721 ( 5.621 0.000 6.308) 8.449 16.869 ( 3.515 0.000 3.347) 4.854 16.925 ( 6.747 0.000 0.580) 6.771 19.124 ( 1.381 0.000 1.632) 2.138 19.293 ( 3.748 0.000 4.066) 5.530 19.528 ( 0.060 0.000 -2.815) 2.815 19.596 ( -3.852 0.000 3.804) 5.413 20.887 ( 1.157 0.000 -3.298) 3.495 20.983 ( 2.489 0.000 3.633) 4.403 21.159 ( -3.268 0.000 0.935) 3.399 21.193 ( -3.560 0.000 -2.630) 4.426 25.068 ( 0.684 0.000 -1.197) 1.379 25.075 ( -2.081 0.000 2.568) 3.305 25.400 ( 0.798 0.000 -3.233) 3.330 25.666 ( 1.160 0.000 -2.246) 2.528 25.880 ( -0.899 0.000 2.932) 3.067 25.897 ( 1.430 0.000 2.186) 2.612 26.115 ( -0.969 0.000 -2.009) 2.231 26.174 ( -1.170 0.000 1.017) 1.551 26.527 ( 2.887 0.000 -4.458) 5.311 26.744 ( 1.037 0.000 -7.384) 7.457 27.021 ( 1.921 0.000 -5.198) 5.542 27.138 ( 3.574 0.000 1.431) 3.850 27.347 ( 3.879 0.000 -1.801) 4.277 27.391 ( 0.727 0.000 2.592) 2.692 27.424 ( 6.209 0.000 3.846) 7.304 27.481 ( 4.352 0.000 10.832) 11.673 27.496 ( 0.818 0.000 -1.683) 1.871 27.500 ( 1.708 0.000 4.612) 4.918 27.670 ( -3.155 0.000 -4.770) 5.719 27.976 ( -2.615 0.000 -0.536) 2.669 28.002 ( -3.332 0.000 3.075) 4.534 28.101 ( -2.376 0.000 -1.507) 2.813 28.208 ( 1.875 0.000 -0.451) 1.928 28.364 ( -2.545 0.000 -1.689) 3.054 28.391 ( 1.996 0.000 -5.126) 5.501 28.555 ( -2.847 0.000 -1.892) 3.419 28.653 ( -6.583 0.000 -3.329) 7.377 28.777 ( -9.699 0.000 7.740) 12.409 28.889 ( -16.853 0.000 4.655) 17.484 28.979 ( -8.008 0.000 6.176) 10.113 29.206 ( -1.516 0.000 -4.623) 4.865 29.463 ( 6.598 0.000 -1.666) 6.805 29.703 ( 2.989 0.000 -6.263) 6.939 29.827 ( -2.218 0.000 -1.698) 2.794 30.108 ( -1.088 0.000 -7.638) 7.715 30.237 ( -2.856 0.000 9.956) 10.357 30.421 ( -0.127 0.000 9.370) 9.371 30.943 ( 12.091 0.000 -7.094) 14.018 30.955 ( 1.564 0.000 6.850) 7.026 31.218 ( 9.497 0.000 -11.741) 15.101 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 26.799 0.000 12.537) 29.587 1.581 ( 4.163 0.000 7.943) 8.968 1.707 ( 4.732 0.000 -0.610) 4.771 1.896 ( 16.633 0.000 -2.945) 16.892 1.952 ( 6.476 0.000 8.336) 10.556 1.965 ( 6.672 0.000 5.827) 8.858 2.121 ( -0.809 0.000 1.783) 1.958 2.181 ( -13.489 0.000 11.437) 17.685 2.458 ( -2.452 0.000 1.863) 3.079 2.560 ( -0.635 0.000 5.169) 5.208 2.588 ( 2.653 0.000 -0.832) 2.780 2.701 ( -1.700 0.000 -3.024) 3.470 2.759 ( -3.809 0.000 -1.173) 3.985 2.890 ( -3.236 0.000 -0.950) 3.373 3.012 ( -2.375 0.000 -1.178) 2.651 3.033 ( 5.976 0.000 5.255) 7.958 3.164 ( 1.602 0.000 3.480) 3.831 3.232 ( -1.264 0.000 -2.406) 2.717 3.267 ( 8.467 0.000 -8.673) 12.121 3.340 ( 13.852 0.000 -13.938) 19.651 3.354 ( -3.786 0.000 4.982) 6.257 3.463 ( 5.379 0.000 5.219) 7.495 3.532 ( 5.225 0.000 1.144) 5.349 3.725 ( -1.384 0.000 -9.906) 10.002 3.748 ( 6.732 0.000 -0.717) 6.770 3.800 ( 6.646 0.000 0.667) 6.679 3.847 ( -2.993 0.000 2.780) 4.085 3.879 ( -4.026 0.000 3.739) 5.495 3.972 ( 1.576 0.000 -4.299) 4.579 4.102 ( -4.243 0.000 -4.981) 6.543 4.102 ( -7.105 0.000 5.950) 9.268 4.168 ( -2.234 0.000 0.133) 2.238 4.319 ( -2.709 0.000 -0.706) 2.799 4.321 ( -4.798 0.000 -7.136) 8.600 4.396 ( -1.784 0.000 -8.126) 8.319 4.421 ( -1.409 0.000 0.048) 1.410 4.505 ( -2.075 0.000 -4.906) 5.326 4.553 ( -0.758 0.000 -0.797) 1.100 4.713 ( 0.353 0.000 -2.085) 2.115 4.797 ( 4.330 0.000 -6.572) 7.870 4.895 ( -8.666 0.000 2.777) 9.100 4.900 ( -3.076 0.000 0.564) 3.127 4.981 ( -3.253 0.000 -0.358) 3.273 4.998 ( 1.114 0.000 6.608) 6.701 5.118 ( -3.663 0.000 3.984) 5.411 5.147 ( -2.333 0.000 1.330) 2.685 5.206 ( 6.418 0.000 -7.577) 9.930 5.315 ( -1.213 0.000 4.204) 4.376 5.370 ( -3.954 0.000 3.935) 5.579 5.451 ( 1.818 0.000 -0.468) 1.877 5.463 ( -1.947 0.000 3.896) 4.355 5.638 ( -1.391 0.000 -1.634) 2.146 5.658 ( -3.159 0.000 -1.779) 3.625 5.721 ( -3.560 0.000 -2.104) 4.135 5.904 ( 1.514 0.000 6.159) 6.342 5.905 ( -1.573 0.000 1.395) 2.102 5.984 ( 3.699 0.000 3.395) 5.021 5.995 ( 0.455 0.000 -3.040) 3.074 6.203 ( -0.214 0.000 -0.912) 0.937 6.306 ( -0.900 0.000 -1.273) 1.559 6.352 ( -2.111 0.000 -1.607) 2.653 6.389 ( 0.499 0.000 6.246) 6.266 6.428 ( 0.749 0.000 1.173) 1.392 6.480 ( -4.717 0.000 -5.683) 7.385 6.672 ( 0.966 0.000 2.835) 2.995 6.688 ( -1.877 0.000 0.928) 2.094 7.019 ( 0.518 0.000 -0.315) 0.606 7.090 ( -0.205 0.000 1.974) 1.985 7.180 ( 1.067 0.000 -4.301) 4.431 7.248 ( -1.430 0.000 4.033) 4.279 7.379 ( 0.688 0.000 -6.201) 6.239 7.409 ( 4.899 0.000 4.088) 6.380 7.604 ( -1.812 0.000 -8.775) 8.960 7.766 ( -0.235 0.000 -3.117) 3.126 7.850 ( -0.424 0.000 -1.411) 1.473 7.929 ( 0.846 0.000 -0.741) 1.125 8.109 ( -4.104 0.000 -3.834) 5.616 8.118 ( -6.957 0.000 2.418) 7.366 8.245 ( -3.259 0.000 4.864) 5.855 8.280 ( 1.167 0.000 -1.611) 1.990 8.455 ( 0.718 0.000 -1.857) 1.991 8.532 ( -6.709 0.000 -0.195) 6.712 8.800 ( 3.229 0.000 2.366) 4.003 8.831 ( 0.129 0.000 2.894) 2.897 8.849 ( -2.216 0.000 3.415) 4.071 8.893 ( 1.237 0.000 0.999) 1.590 9.153 ( 5.708 0.000 -1.301) 5.855 9.161 ( -3.873 0.000 5.499) 6.726 9.263 ( 2.263 0.000 -0.150) 2.268 9.351 ( -0.567 0.000 5.675) 5.704 9.448 ( -4.997 0.000 -0.534) 5.025 9.561 ( 3.550 0.000 -5.140) 6.247 9.710 ( -0.467 0.000 1.819) 1.878 9.765 ( 3.410 0.000 -4.592) 5.720 9.883 ( 1.591 0.000 -1.100) 1.934 9.919 ( -1.926 0.000 7.093) 7.350 9.969 ( -0.099 0.000 2.284) 2.286 10.188 ( 6.059 0.000 -4.477) 7.533 10.286 ( 1.453 0.000 4.453) 4.684 10.415 ( 0.004 0.000 3.195) 3.195 10.649 ( -4.268 0.000 -0.286) 4.278 10.682 ( 1.565 0.000 -4.017) 4.311 10.736 ( 1.910 0.000 3.259) 3.777 10.951 ( 3.720 0.000 0.436) 3.746 11.063 ( 3.195 0.000 2.507) 4.062 11.100 ( 1.902 0.000 2.329) 3.007 11.165 ( -4.936 0.000 4.543) 6.708 11.349 ( -6.001 0.000 -0.199) 6.005 11.932 ( -0.915 0.000 0.235) 0.944 11.995 ( -1.407 0.000 -3.405) 3.684 12.046 ( 2.037 0.000 -0.555) 2.112 12.126 ( -0.226 0.000 -3.344) 3.351 12.224 ( 2.191 0.000 -8.219) 8.506 12.298 ( 0.167 0.000 -2.746) 2.751 12.337 ( -0.860 0.000 -2.552) 2.693 12.400 ( 1.795 0.000 -5.307) 5.602 12.448 ( -2.606 0.000 -4.313) 5.039 12.512 ( -5.455 0.000 -5.259) 7.577 12.779 ( -2.893 0.000 4.300) 5.183 12.804 ( 2.293 0.000 2.318) 3.261 12.893 ( 0.863 0.000 -2.921) 3.046 12.961 ( -0.139 0.000 -0.054) 0.149 13.063 ( -1.265 0.000 5.000) 5.158 13.074 ( -2.761 0.000 -1.715) 3.250 13.087 ( 1.514 0.000 0.543) 1.609 13.194 ( -7.210 0.000 4.929) 8.734 13.470 ( 0.613 0.000 0.453) 0.762 13.528 ( 5.703 0.000 3.100) 6.491 13.591 ( 3.049 0.000 -0.179) 3.054 13.647 ( 2.725 0.000 -2.951) 4.017 13.690 ( 6.261 0.000 5.770) 8.514 13.799 ( 5.511 0.000 1.044) 5.609 13.808 ( 3.106 0.000 -2.241) 3.830 14.027 ( -4.938 0.000 4.700) 6.818 14.056 ( -8.267 0.000 -4.682) 9.500 14.334 ( -3.972 0.000 -3.718) 5.440 14.445 ( -1.138 0.000 -4.575) 4.715 14.633 ( -8.133 0.000 -2.726) 8.577 14.718 ( 6.465 0.000 3.337) 7.275 14.847 ( 5.352 0.000 1.216) 5.489 15.085 ( 2.596 0.000 4.906) 5.550 15.249 ( 0.760 0.000 2.001) 2.140 15.391 ( -1.251 0.000 -2.495) 2.791 15.429 ( -1.798 0.000 2.520) 3.096 15.451 ( 1.558 0.000 0.621) 1.677 15.501 ( -5.275 0.000 1.457) 5.473 15.726 ( -3.414 0.000 -2.898) 4.478 15.775 ( -6.508 0.000 -0.283) 6.514 16.074 ( 2.358 0.000 6.370) 6.793 16.148 ( -0.369 0.000 5.329) 5.341 16.280 ( 0.840 0.000 -2.482) 2.621 16.372 ( -2.851 0.000 -2.517) 3.803 16.698 ( 8.300 0.000 -8.048) 11.561 16.825 ( -1.398 0.000 4.093) 4.325 16.939 ( 3.132 0.000 2.160) 3.805 17.028 ( 4.148 0.000 0.329) 4.161 19.167 ( 1.765 0.000 1.511) 2.324 19.305 ( -2.950 0.000 -0.557) 3.002 19.555 ( 2.434 0.000 0.918) 2.601 19.559 ( -4.410 0.000 3.716) 5.767 20.892 ( 3.192 0.000 -2.012) 3.773 21.017 ( -2.817 0.000 1.608) 3.244 21.146 ( -0.483 0.000 2.113) 2.168 21.149 ( 0.857 0.000 -0.035) 0.858 25.057 ( -1.580 0.000 0.724) 1.738 25.066 ( 0.101 0.000 -0.908) 0.914 25.390 ( 1.732 0.000 -2.794) 3.288 25.588 ( -2.581 0.000 -7.870) 8.283 25.908 ( 0.190 0.000 3.844) 3.848 25.956 ( 1.477 0.000 4.048) 4.309 26.080 ( -0.485 0.000 -2.631) 2.676 26.142 ( -2.190 0.000 -0.811) 2.335 26.578 ( 3.668 0.000 0.130) 3.671 26.697 ( 1.268 0.000 -5.869) 6.005 27.019 ( 4.181 0.000 -4.543) 6.174 27.179 ( -0.420 0.000 -0.803) 0.907 27.373 ( 1.955 0.000 -0.646) 2.059 27.417 ( -0.931 0.000 2.080) 2.278 27.437 ( -0.393 0.000 -2.877) 2.903 27.450 ( -3.573 0.000 3.198) 4.795 27.526 ( -3.092 0.000 1.221) 3.325 27.629 ( 1.486 0.000 -1.920) 2.428 27.738 ( 9.819 0.000 0.772) 9.849 27.957 ( -3.621 0.000 2.086) 4.179 28.007 ( -0.832 0.000 5.571) 5.633 28.101 ( 4.549 0.000 4.450) 6.364 28.229 ( 1.446 0.000 -1.125) 1.832 28.307 ( -0.903 0.000 -1.487) 1.740 28.401 ( 3.495 0.000 -3.745) 5.122 28.458 ( -3.703 0.000 -2.364) 4.393 28.553 ( -3.143 0.000 -3.007) 4.349 28.668 ( -10.104 0.000 4.303) 10.982 28.755 ( -6.698 0.000 9.581) 11.690 28.961 ( -4.201 0.000 11.370) 12.121 29.117 ( -1.841 0.000 -7.198) 7.430 29.483 ( 3.329 0.000 -12.850) 13.274 29.703 ( 0.729 0.000 1.607) 1.765 29.784 ( -0.966 0.000 -1.597) 1.866 30.060 ( 3.308 0.000 -3.168) 4.581 30.233 ( -8.314 0.000 8.645) 11.994 30.572 ( 1.880 0.000 14.659) 14.779 31.016 ( -3.251 0.000 7.069) 7.781 31.027 ( 8.780 0.000 -12.002) 14.870 31.238 ( 7.848 0.000 -13.309) 15.451 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -5.455 0.000 6.110) 8.190 1.772 ( 3.358 0.000 -2.722) 4.323 1.960 ( 18.134 0.000 10.887) 21.151 2.046 ( -3.956 0.000 4.915) 6.309 2.058 ( 2.226 0.000 -3.271) 3.956 2.154 ( 7.050 0.000 -5.829) 9.148 2.225 ( 9.468 0.000 11.144) 14.623 2.260 ( 10.391 0.000 15.539) 18.693 2.480 ( -8.625 0.000 -7.803) 11.631 2.502 ( 1.015 0.000 -1.544) 1.848 2.625 ( -2.753 0.000 0.535) 2.804 2.648 ( 0.611 0.000 -1.152) 1.304 2.703 ( 2.666 0.000 6.034) 6.596 2.861 ( -0.007 0.000 -2.952) 2.952 2.912 ( -5.577 0.000 -0.539) 5.603 3.078 ( -1.779 0.000 -11.817) 11.950 3.201 ( -5.110 0.000 5.929) 7.827 3.224 ( 2.234 0.000 11.326) 11.544 3.264 ( -1.604 0.000 -0.419) 1.658 3.309 ( -7.838 0.000 3.683) 8.660 3.435 ( 4.115 0.000 0.260) 4.123 3.521 ( -12.476 0.000 -5.589) 13.671 3.595 ( 0.979 0.000 -2.926) 3.085 3.659 ( 5.901 0.000 -4.599) 7.481 3.768 ( -0.772 0.000 9.896) 9.926 3.785 ( -5.627 0.000 5.834) 8.105 3.916 ( 1.917 0.000 -1.389) 2.367 3.933 ( 8.984 0.000 -2.816) 9.416 3.949 ( -0.779 0.000 -0.170) 0.797 4.011 ( -2.777 0.000 -3.457) 4.434 4.016 ( 0.849 0.000 1.970) 2.145 4.107 ( -1.337 0.000 -4.649) 4.837 4.162 ( -5.476 0.000 -13.309) 14.391 4.247 ( 8.296 0.000 -11.027) 13.799 4.400 ( -2.917 0.000 2.698) 3.973 4.417 ( 5.954 0.000 3.833) 7.081 4.458 ( 0.553 0.000 -2.349) 2.413 4.501 ( -2.627 0.000 -3.744) 4.574 4.683 ( -3.478 0.000 2.645) 4.370 4.776 ( -6.162 0.000 -4.282) 7.504 4.813 ( -0.078 0.000 1.136) 1.139 4.849 ( 4.241 0.000 -2.422) 4.884 4.990 ( 4.979 0.000 0.515) 5.006 4.992 ( -3.282 0.000 0.597) 3.335 5.080 ( -3.647 0.000 4.167) 5.537 5.180 ( 0.658 0.000 -5.542) 5.580 5.255 ( 5.457 0.000 4.542) 7.099 5.317 ( -1.385 0.000 -2.528) 2.883 5.390 ( 2.795 0.000 7.826) 8.311 5.479 ( -1.449 0.000 3.255) 3.563 5.491 ( 0.616 0.000 -0.286) 0.679 5.555 ( -2.681 0.000 -6.644) 7.164 5.623 ( 1.553 0.000 0.174) 1.563 5.635 ( -3.758 0.000 -0.446) 3.784 5.908 ( 0.116 0.000 1.727) 1.731 5.974 ( 1.069 0.000 -4.346) 4.475 6.027 ( 3.834 0.000 7.741) 8.639 6.116 ( 1.162 0.000 4.519) 4.666 6.182 ( 2.584 0.000 -1.322) 2.902 6.260 ( -5.394 0.000 -1.480) 5.594 6.290 ( -2.235 0.000 -1.009) 2.453 6.326 ( -2.872 0.000 -5.307) 6.034 6.440 ( -0.707 0.000 2.807) 2.895 6.458 ( 1.635 0.000 1.222) 2.041 6.703 ( 0.742 0.000 2.409) 2.520 6.705 ( -0.095 0.000 2.205) 2.207 7.036 ( -3.646 0.000 -1.808) 4.070 7.049 ( 3.782 0.000 -1.458) 4.053 7.239 ( 4.437 0.000 1.324) 4.630 7.258 ( -1.443 0.000 1.299) 1.941 7.357 ( 0.968 0.000 0.382) 1.041 7.449 ( -3.957 0.000 -4.296) 5.841 7.569 ( 6.914 0.000 0.548) 6.935 7.654 ( -5.401 0.000 -6.032) 8.097 7.876 ( -5.113 0.000 0.601) 5.148 7.895 ( 5.550 0.000 -1.229) 5.685 8.029 ( -5.683 0.000 2.084) 6.053 8.111 ( 7.591 0.000 -5.951) 9.646 8.236 ( -2.775 0.000 4.004) 4.872 8.301 ( 4.156 0.000 -2.509) 4.854 8.453 ( -3.969 0.000 1.961) 4.426 8.480 ( 2.978 0.000 -0.345) 2.998 8.835 ( -2.625 0.000 1.472) 3.010 8.847 ( 2.027 0.000 -0.162) 2.034 8.887 ( 1.922 0.000 1.881) 2.689 8.905 ( -0.134 0.000 0.141) 0.195 9.121 ( -6.182 0.000 5.400) 8.208 9.214 ( 2.535 0.000 -1.466) 2.928 9.316 ( 1.971 0.000 2.633) 3.289 9.369 ( -2.951 0.000 -1.638) 3.375 9.393 ( -1.017 0.000 6.561) 6.639 9.540 ( 0.574 0.000 -5.070) 5.102 9.707 ( -1.793 0.000 1.866) 2.588 9.766 ( 2.524 0.000 -4.550) 5.203 9.907 ( -1.733 0.000 1.491) 2.286 9.934 ( 5.476 0.000 -1.150) 5.596 10.064 ( 1.489 0.000 6.061) 6.242 10.182 ( -0.888 0.000 -5.373) 5.446 10.364 ( 1.579 0.000 5.002) 5.245 10.412 ( -2.520 0.000 0.402) 2.552 10.612 ( -1.236 0.000 1.226) 1.741 10.666 ( 1.575 0.000 -3.957) 4.259 10.882 ( 7.207 0.000 8.510) 11.152 11.041 ( -8.589 0.000 -4.782) 9.830 11.061 ( 6.365 0.000 3.620) 7.323 11.102 ( -3.245 0.000 -1.053) 3.412 11.169 ( 5.251 0.000 3.193) 6.146 11.205 ( -7.896 0.000 -1.436) 8.026 11.921 ( -0.166 0.000 0.155) 0.227 11.950 ( 0.891 0.000 -3.042) 3.170 12.074 ( -2.679 0.000 -1.170) 2.923 12.080 ( 2.049 0.000 -0.487) 2.106 12.248 ( -6.501 0.000 -3.641) 7.451 12.263 ( 6.761 0.000 -4.045) 7.879 12.295 ( 2.229 0.000 -0.022) 2.229 12.337 ( -4.550 0.000 -4.363) 6.304 12.384 ( -0.874 0.000 -1.317) 1.580 12.397 ( 0.472 0.000 -2.522) 2.566 12.772 ( -2.781 0.000 5.266) 5.955 12.826 ( -1.177 0.000 0.676) 1.357 12.903 ( -3.681 0.000 -1.843) 4.116 12.928 ( 6.027 0.000 -3.804) 7.127 13.075 ( -1.355 0.000 2.062) 2.467 13.092 ( 4.053 0.000 0.406) 4.074 13.120 ( -6.556 0.000 4.572) 7.993 13.155 ( 5.111 0.000 -0.315) 5.120 13.475 ( -3.563 0.000 5.331) 6.412 13.583 ( 0.620 0.000 -1.102) 1.264 13.629 ( 0.358 0.000 1.194) 1.246 13.647 ( 0.979 0.000 -1.613) 1.887 13.800 ( 3.968 0.000 -1.892) 4.396 13.823 ( -5.305 0.000 -8.173) 9.743 13.925 ( -2.906 0.000 5.945) 6.618 13.966 ( 10.124 0.000 3.752) 10.797 14.079 ( 3.287 0.000 7.582) 8.264 14.220 ( -2.592 0.000 -6.579) 7.071 14.398 ( 1.833 0.000 -3.229) 3.713 14.436 ( -5.908 0.000 -5.297) 7.935 14.849 ( 2.540 0.000 2.879) 3.839 14.890 ( -0.381 0.000 -1.355) 1.408 15.219 ( 5.022 0.000 8.072) 9.507 15.277 ( -2.819 0.000 3.557) 4.539 15.342 ( -5.730 0.000 -4.022) 7.001 15.344 ( 0.035 0.000 -2.832) 2.832 15.436 ( -1.832 0.000 2.835) 3.375 15.487 ( 2.662 0.000 -1.118) 2.888 15.668 ( -5.017 0.000 -0.642) 5.058 15.718 ( 5.397 0.000 -3.536) 6.452 16.167 ( 1.055 0.000 5.751) 5.847 16.219 ( 0.382 0.000 7.461) 7.471 16.237 ( -3.118 0.000 -1.222) 3.350 16.325 ( 0.643 0.000 -4.345) 4.392 16.758 ( -6.570 0.000 -1.066) 6.656 16.766 ( 6.533 0.000 -3.501) 7.412 17.016 ( 1.608 0.000 2.712) 3.152 17.056 ( -0.443 0.000 -1.365) 1.435 19.216 ( 2.337 0.000 1.498) 2.776 19.242 ( -2.626 0.000 -1.324) 2.941 19.535 ( -2.645 0.000 4.028) 4.819 19.591 ( 2.254 0.000 -1.246) 2.576 20.952 ( 4.682 0.000 -0.334) 4.693 20.953 ( -4.294 0.000 -0.287) 4.304 21.161 ( -0.862 0.000 2.145) 2.312 21.177 ( 0.838 0.000 0.439) 0.946 25.044 ( -0.544 0.000 0.590) 0.803 25.053 ( -0.587 0.000 -0.551) 0.805 25.407 ( 1.811 0.000 0.058) 1.812 25.465 ( -3.189 0.000 -5.960) 6.759 25.955 ( 0.328 0.000 4.307) 4.319 26.014 ( 0.768 0.000 1.456) 1.646 26.052 ( 0.440 0.000 -0.784) 0.899 26.094 ( -1.573 0.000 -2.105) 2.628 26.626 ( 1.909 0.000 -0.131) 1.914 26.666 ( 1.177 0.000 -4.682) 4.828 27.079 ( 5.858 0.000 -1.279) 5.996 27.094 ( -6.228 0.000 -2.795) 6.827 27.393 ( -3.221 0.000 1.509) 3.557 27.402 ( 0.938 0.000 0.602) 1.115 27.421 ( -3.019 0.000 1.515) 3.377 27.439 ( 2.394 0.000 -1.128) 2.646 27.492 ( -3.666 0.000 4.844) 6.075 27.604 ( 1.526 0.000 -4.434) 4.689 27.851 ( -8.151 0.000 1.047) 8.218 27.890 ( 7.886 0.000 -1.074) 7.959 28.075 ( 1.374 0.000 5.991) 6.147 28.165 ( -0.528 0.000 -2.959) 3.006 28.292 ( 0.009 0.000 5.094) 5.094 28.322 ( 1.567 0.000 1.981) 2.526 28.412 ( -0.894 0.000 -2.918) 3.052 28.422 ( 3.501 0.000 -4.475) 5.682 28.522 ( -9.883 0.000 1.692) 10.027 28.538 ( 7.476 0.000 0.194) 7.479 28.809 ( 0.341 0.000 9.855) 9.861 28.985 ( -2.066 0.000 -3.943) 4.451 29.079 ( 1.496 0.000 8.390) 8.522 29.364 ( 1.357 0.000 -16.489) 16.544 29.725 ( -0.811 0.000 2.620) 2.743 29.761 ( -0.056 0.000 -1.255) 1.256 30.140 ( -9.439 0.000 4.164) 10.317 30.175 ( 10.506 0.000 0.473) 10.517 30.733 ( -1.246 0.000 14.696) 14.749 30.989 ( -8.189 0.000 8.585) 11.864 30.997 ( 2.148 0.000 -12.764) 12.944 31.235 ( 8.286 0.000 -14.498) 16.699 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -19.687 0.000 10.822) 22.466 1.672 ( -23.291 0.000 -10.756) 25.655 1.788 ( -4.629 0.000 -15.563) 16.237 2.045 ( 1.701 0.000 -9.266) 9.420 2.157 ( 0.410 0.000 -11.239) 11.246 2.160 ( -7.529 0.000 -7.261) 10.460 2.169 ( 3.556 0.000 -6.642) 7.534 2.387 ( 9.696 0.000 -9.649) 13.679 2.481 ( 2.032 0.000 6.044) 6.377 2.613 ( 2.958 0.000 5.279) 6.051 2.623 ( -9.661 0.000 -6.239) 11.501 2.664 ( 7.032 0.000 -2.161) 7.356 2.734 ( 4.222 0.000 0.033) 4.222 2.836 ( 2.785 0.000 6.739) 7.292 2.916 ( -17.701 0.000 12.974) 21.947 3.002 ( 1.600 0.000 -4.684) 4.950 3.080 ( -7.038 0.000 8.061) 10.701 3.141 ( -12.048 0.000 -1.242) 12.112 3.149 ( -8.430 0.000 4.357) 9.489 3.277 ( -9.732 0.000 -1.047) 9.788 3.359 ( -0.599 0.000 7.728) 7.752 3.522 ( -4.878 0.000 3.285) 5.881 3.524 ( 3.906 0.000 3.255) 5.084 3.586 ( -4.176 0.000 -0.230) 4.182 3.782 ( -2.932 0.000 -3.749) 4.760 3.856 ( -0.527 0.000 0.823) 0.977 3.866 ( -5.381 0.000 -5.457) 7.664 3.936 ( 2.082 0.000 0.461) 2.132 4.022 ( 10.895 0.000 -8.553) 13.851 4.041 ( 0.799 0.000 -2.345) 2.478 4.109 ( 4.940 0.000 2.625) 5.595 4.113 ( 2.902 0.000 9.250) 9.694 4.124 ( 7.355 0.000 10.543) 12.854 4.339 ( 9.964 0.000 -8.890) 13.354 4.382 ( 1.316 0.000 -1.903) 2.314 4.435 ( -0.039 0.000 -1.370) 1.371 4.452 ( 0.913 0.000 -2.333) 2.505 4.567 ( 5.909 0.000 0.736) 5.954 4.650 ( -3.139 0.000 2.054) 3.751 4.658 ( -3.389 0.000 6.378) 7.222 4.904 ( 4.138 0.000 0.376) 4.155 4.941 ( 5.970 0.000 -1.891) 6.262 4.955 ( 0.298 0.000 1.555) 1.583 5.065 ( -5.070 0.000 6.704) 8.405 5.087 ( 6.048 0.000 -2.038) 6.382 5.163 ( 3.774 0.000 -3.754) 5.323 5.291 ( 3.121 0.000 -5.402) 6.238 5.380 ( 5.478 0.000 1.760) 5.754 5.409 ( -2.890 0.000 -7.941) 8.450 5.478 ( 0.513 0.000 -0.386) 0.642 5.515 ( 0.237 0.000 0.759) 0.796 5.530 ( 2.910 0.000 8.274) 8.770 5.599 ( 0.655 0.000 0.949) 1.153 5.701 ( 4.398 0.000 1.496) 4.645 5.927 ( -1.037 0.000 1.432) 1.768 5.950 ( 1.775 0.000 -3.751) 4.149 6.053 ( -0.847 0.000 -6.274) 6.331 6.065 ( -9.252 0.000 -4.447) 10.266 6.154 ( 2.506 0.000 4.625) 5.260 6.252 ( -0.387 0.000 4.171) 4.189 6.330 ( 2.884 0.000 0.022) 2.884 6.334 ( 2.796 0.000 7.096) 7.627 6.431 ( -2.246 0.000 0.944) 2.436 6.487 ( 1.308 0.000 -2.026) 2.412 6.719 ( 1.120 0.000 -0.931) 1.457 6.725 ( -0.078 0.000 -0.835) 0.839 6.980 ( -1.700 0.000 1.420) 2.215 7.106 ( 3.316 0.000 -0.250) 3.325 7.204 ( -1.556 0.000 -5.956) 6.156 7.293 ( 0.877 0.000 -0.263) 0.915 7.364 ( 0.261 0.000 -4.125) 4.133 7.410 ( -2.640 0.000 7.422) 7.878 7.517 ( -1.268 0.000 -4.826) 4.989 7.694 ( 3.751 0.000 3.645) 5.231 7.813 ( -2.852 0.000 1.293) 3.131 7.906 ( -3.645 0.000 0.062) 3.646 8.063 ( 7.898 0.000 1.507) 8.041 8.193 ( 7.735 0.000 -4.682) 9.042 8.244 ( 0.217 0.000 2.267) 2.277 8.351 ( 5.149 0.000 -5.555) 7.575 8.423 ( -1.654 0.000 1.792) 2.439 8.543 ( 4.763 0.000 -0.043) 4.763 8.803 ( -0.832 0.000 -0.516) 0.980 8.862 ( -1.147 0.000 1.779) 2.117 8.904 ( 1.600 0.000 -2.124) 2.659 8.921 ( 1.365 0.000 -1.692) 2.174 9.067 ( -6.851 0.000 5.710) 8.919 9.204 ( -3.347 0.000 1.770) 3.786 9.314 ( -0.280 0.000 -4.202) 4.211 9.374 ( 0.882 0.000 3.568) 3.675 9.449 ( 0.004 0.000 4.768) 4.768 9.498 ( 0.019 0.000 -3.536) 3.536 9.700 ( -0.920 0.000 2.136) 2.326 9.769 ( 3.412 0.000 -4.877) 5.952 9.888 ( -0.970 0.000 -1.307) 1.628 10.028 ( 7.353 0.000 -3.726) 8.243 10.069 ( -3.866 0.000 -6.791) 7.814 10.093 ( -4.948 0.000 5.226) 7.197 10.352 ( -3.159 0.000 -1.948) 3.711 10.418 ( -0.505 0.000 3.199) 3.239 10.611 ( -1.647 0.000 2.856) 3.297 10.668 ( 2.775 0.000 -2.546) 3.766 10.845 ( -5.664 0.000 -6.522) 8.638 10.988 ( -5.293 0.000 -3.187) 6.179 11.073 ( 4.021 0.000 5.095) 6.491 11.086 ( -5.657 0.000 -0.053) 5.657 11.210 ( 7.027 0.000 1.946) 7.292 11.306 ( 6.514 0.000 4.100) 7.696 11.935 ( 1.387 0.000 1.054) 1.743 11.956 ( 1.977 0.000 -2.336) 3.060 12.027 ( -2.119 0.000 0.754) 2.249 12.081 ( -8.937 0.000 3.780) 9.704 12.116 ( 2.142 0.000 -1.382) 2.550 12.267 ( -1.346 0.000 -0.030) 1.347 12.298 ( 1.401 0.000 0.464) 1.476 12.331 ( -1.146 0.000 1.765) 2.105 12.406 ( 2.030 0.000 -0.400) 2.069 12.452 ( 6.578 0.000 1.338) 6.713 12.788 ( -1.241 0.000 3.744) 3.945 12.803 ( -3.734 0.000 2.849) 4.697 12.861 ( 3.297 0.000 -2.167) 3.945 12.975 ( 0.448 0.000 -0.949) 1.049 13.053 ( -1.437 0.000 0.569) 1.545 13.099 ( 1.864 0.000 0.308) 1.889 13.143 ( 2.606 0.000 -3.510) 4.371 13.252 ( 5.839 0.000 -0.117) 5.841 13.451 ( -5.983 0.000 6.272) 8.668 13.531 ( -7.433 0.000 -0.368) 7.442 13.617 ( -1.785 0.000 -3.874) 4.266 13.625 ( -2.898 0.000 -1.542) 3.283 13.690 ( -1.761 0.000 4.376) 4.717 13.796 ( -4.254 0.000 -0.103) 4.255 13.864 ( -3.116 0.000 -6.566) 7.268 14.083 ( 6.960 0.000 -5.988) 9.181 14.160 ( 2.968 0.000 -6.154) 6.833 14.243 ( 6.208 0.000 5.562) 8.335 14.390 ( 2.746 0.000 0.703) 2.834 14.520 ( 9.952 0.000 6.616) 11.951 14.803 ( -6.047 0.000 -4.833) 7.741 14.852 ( -4.106 0.000 0.576) 4.146 15.159 ( -5.598 0.000 -1.583) 5.817 15.271 ( -1.959 0.000 0.388) 1.997 15.343 ( 1.499 0.000 1.485) 2.111 15.434 ( -1.279 0.000 1.958) 2.339 15.449 ( 6.808 0.000 2.094) 7.123 15.545 ( 8.044 0.000 -1.548) 8.192 15.604 ( -3.205 0.000 3.863) 5.019 15.811 ( 8.773 0.000 -3.064) 9.293 16.163 ( -3.885 0.000 -1.877) 4.315 16.215 ( -1.114 0.000 4.344) 4.484 16.280 ( 0.139 0.000 -6.206) 6.207 16.310 ( 2.672 0.000 5.586) 6.192 16.618 ( -8.035 0.000 -0.570) 8.055 16.848 ( 4.189 0.000 1.271) 4.377 16.987 ( -4.779 0.000 -3.174) 5.737 17.024 ( -3.031 0.000 0.878) 3.156 19.195 ( -1.385 0.000 -1.289) 1.893 19.282 ( 3.629 0.000 1.638) 3.982 19.545 ( -0.722 0.000 2.813) 2.904 19.622 ( 3.483 0.000 -2.302) 4.175 20.878 ( -3.854 0.000 -0.514) 3.888 21.033 ( 4.677 0.000 -0.162) 4.680 21.145 ( -2.874 0.000 0.873) 3.004 21.174 ( -0.733 0.000 -0.843) 1.117 25.048 ( -0.328 0.000 1.205) 1.249 25.050 ( 0.405 0.000 1.254) 1.317 25.369 ( -3.304 0.000 -1.714) 3.722 25.450 ( 0.726 0.000 4.419) 4.479 25.990 ( -0.010 0.000 -4.164) 4.164 26.000 ( 0.087 0.000 3.310) 3.312 26.046 ( -1.142 0.000 -2.571) 2.813 26.101 ( 1.864 0.000 3.434) 3.907 26.634 ( 0.482 0.000 -5.565) 5.586 26.642 ( 0.076 0.000 -0.059) 0.096 26.965 ( -5.899 0.000 0.312) 5.907 27.163 ( 2.899 0.000 0.616) 2.963 27.355 ( -2.847 0.000 2.312) 3.667 27.382 ( -2.247 0.000 1.488) 2.695 27.408 ( -1.862 0.000 2.138) 2.835 27.480 ( 2.898 0.000 -0.385) 2.924 27.513 ( -1.021 0.000 7.269) 7.341 27.594 ( 0.992 0.000 -3.050) 3.207 27.730 ( -6.510 0.000 -0.035) 6.510 27.996 ( 5.455 0.000 -0.728) 5.504 28.113 ( 0.087 0.000 -4.725) 4.725 28.153 ( 0.928 0.000 3.274) 3.403 28.251 ( -9.062 0.000 -4.550) 10.140 28.313 ( -0.760 0.000 3.178) 3.268 28.343 ( -2.525 0.000 -3.073) 3.978 28.432 ( 2.197 0.000 0.247) 2.211 28.494 ( 4.200 0.000 1.814) 4.574 28.722 ( 10.841 0.000 -1.067) 10.893 28.923 ( 2.769 0.000 -6.714) 7.263 28.948 ( 4.187 0.000 9.539) 10.417 29.219 ( 1.381 0.000 11.538) 11.621 29.233 ( 2.621 0.000 -15.410) 15.631 29.741 ( -0.322 0.000 2.963) 2.980 29.751 ( 0.164 0.000 -1.693) 1.701 30.021 ( -6.503 0.000 1.273) 6.626 30.364 ( 11.459 0.000 -3.842) 12.086 30.787 ( -7.954 0.000 11.744) 14.184 30.853 ( -3.321 0.000 -13.337) 13.744 30.960 ( -7.130 0.000 13.729) 15.470 31.221 ( 6.035 0.000 -13.973) 15.221 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -30.663 0.000 -8.646) 31.859 1.280 ( -23.596 0.000 18.358) 29.897 1.684 ( 3.766 0.000 -13.550) 14.063 1.844 ( -5.335 0.000 -3.043) 6.142 2.014 ( -0.640 0.000 -11.534) 11.552 2.034 ( 5.877 0.000 -17.037) 18.022 2.242 ( 8.129 0.000 -5.973) 10.087 2.355 ( -27.890 0.000 21.990) 35.516 2.420 ( 0.199 0.000 -4.305) 4.309 2.534 ( -3.165 0.000 -0.181) 3.171 2.593 ( -1.958 0.000 -3.939) 4.399 2.687 ( -3.353 0.000 2.270) 4.049 2.718 ( 0.683 0.000 -2.000) 2.114 2.825 ( 3.792 0.000 0.222) 3.799 2.902 ( -1.489 0.000 3.136) 3.472 2.941 ( -6.701 0.000 0.515) 6.721 3.023 ( 1.998 0.000 3.906) 4.387 3.102 ( -2.067 0.000 2.128) 2.967 3.124 ( -6.504 0.000 2.408) 6.936 3.202 ( 0.766 0.000 8.346) 8.382 3.376 ( -3.701 0.000 3.266) 4.936 3.485 ( -2.462 0.000 -4.406) 5.047 3.499 ( -4.339 0.000 5.689) 7.155 3.636 ( -1.135 0.000 6.345) 6.446 3.669 ( 1.950 0.000 -13.061) 13.206 3.730 ( -4.853 0.000 -2.161) 5.312 3.868 ( 1.081 0.000 2.548) 2.768 3.956 ( 0.451 0.000 -0.894) 1.001 4.044 ( 1.113 0.000 0.113) 1.118 4.168 ( 10.303 0.000 -0.062) 10.303 4.185 ( 1.189 0.000 0.864) 1.469 4.254 ( 1.540 0.000 -2.843) 3.233 4.310 ( 3.003 0.000 10.724) 11.137 4.339 ( -0.660 0.000 0.282) 0.718 4.433 ( 0.569 0.000 -3.636) 3.680 4.435 ( 5.353 0.000 -1.000) 5.446 4.524 ( 6.639 0.000 2.713) 7.172 4.575 ( -0.339 0.000 -2.020) 2.049 4.686 ( -1.543 0.000 6.119) 6.310 4.714 ( 2.833 0.000 0.790) 2.941 4.946 ( 2.488 0.000 1.711) 3.019 4.955 ( -7.231 0.000 3.451) 8.012 4.980 ( 0.650 0.000 0.030) 0.651 5.050 ( -1.055 0.000 1.759) 2.052 5.135 ( 6.628 0.000 -9.117) 11.272 5.232 ( 0.695 0.000 -7.796) 7.827 5.249 ( 6.565 0.000 -1.329) 6.698 5.402 ( 7.047 0.000 -2.466) 7.466 5.440 ( -0.834 0.000 -3.180) 3.288 5.468 ( 0.116 0.000 -2.994) 2.996 5.526 ( 1.503 0.000 -1.021) 1.817 5.649 ( 4.521 0.000 4.366) 6.285 5.680 ( 4.177 0.000 3.434) 5.407 5.759 ( 1.776 0.000 -0.078) 1.777 5.888 ( -1.939 0.000 -1.138) 2.248 5.939 ( -2.632 0.000 0.938) 2.794 5.970 ( 3.209 0.000 -2.478) 4.054 6.038 ( 2.976 0.000 -1.974) 3.571 6.192 ( -1.281 0.000 1.322) 1.841 6.283 ( -1.237 0.000 2.654) 2.929 6.370 ( 0.124 0.000 -0.894) 0.903 6.381 ( -3.124 0.000 0.003) 3.124 6.396 ( -1.391 0.000 1.991) 2.428 6.512 ( 2.719 0.000 3.196) 4.196 6.675 ( -1.640 0.000 -3.522) 3.885 6.751 ( 4.669 0.000 -0.788) 4.735 7.016 ( 2.212 0.000 3.226) 3.912 7.085 ( -5.049 0.000 -5.412) 7.401 7.156 ( 1.755 0.000 2.107) 2.742 7.275 ( -1.616 0.000 -1.281) 2.062 7.356 ( -4.365 0.000 -0.011) 4.365 7.377 ( 4.100 0.000 -1.384) 4.327 7.566 ( 2.445 0.000 5.078) 5.636 7.736 ( -1.350 0.000 1.467) 1.993 7.813 ( -1.863 0.000 5.429) 5.740 7.868 ( -1.120 0.000 1.840) 2.154 8.190 ( -0.180 0.000 4.012) 4.016 8.272 ( 6.144 0.000 -3.764) 7.205 8.329 ( 11.856 0.000 -0.485) 11.866 8.351 ( 2.770 0.000 -7.166) 7.683 8.451 ( 2.720 0.000 2.102) 3.438 8.647 ( 5.943 0.000 1.422) 6.111 8.809 ( 4.249 0.000 -3.334) 5.401 8.847 ( -2.627 0.000 0.761) 2.735 8.886 ( -2.249 0.000 -2.587) 3.428 8.930 ( 5.669 0.000 -5.125) 7.642 8.992 ( -7.514 0.000 3.806) 8.423 9.168 ( -4.574 0.000 5.664) 7.280 9.257 ( -1.876 0.000 -3.804) 4.241 9.387 ( -1.475 0.000 -1.003) 1.783 9.459 ( -1.168 0.000 -0.865) 1.454 9.492 ( 0.472 0.000 1.550) 1.620 9.710 ( 0.052 0.000 -1.240) 1.241 9.781 ( 3.151 0.000 -4.874) 5.804 9.847 ( -2.622 0.000 -0.059) 2.623 9.925 ( -3.068 0.000 -5.034) 5.895 10.027 ( -6.096 0.000 3.176) 6.874 10.142 ( 9.222 0.000 -4.593) 10.303 10.283 ( -1.821 0.000 -1.482) 2.348 10.409 ( -2.313 0.000 0.556) 2.379 10.608 ( -2.827 0.000 4.328) 5.169 10.715 ( 3.163 0.000 0.787) 3.259 10.748 ( -0.464 0.000 -2.058) 2.110 10.914 ( -0.587 0.000 -0.518) 0.783 11.007 ( -3.850 0.000 1.033) 3.986 11.102 ( -0.130 0.000 -3.683) 3.685 11.278 ( 1.644 0.000 -4.811) 5.085 11.419 ( 1.960 0.000 -0.119) 1.964 11.935 ( -1.898 0.000 -0.454) 1.951 12.002 ( 2.907 0.000 2.961) 4.149 12.050 ( -0.652 0.000 9.490) 9.513 12.055 ( 4.400 0.000 -0.109) 4.401 12.174 ( 1.947 0.000 4.373) 4.787 12.274 ( 0.184 0.000 2.567) 2.573 12.315 ( -1.378 0.000 3.913) 4.149 12.338 ( -0.449 0.000 1.284) 1.360 12.459 ( 2.888 0.000 2.577) 3.871 12.516 ( -1.038 0.000 1.100) 1.512 12.785 ( -0.130 0.000 1.116) 1.124 12.787 ( -0.056 0.000 -1.116) 1.118 12.924 ( -3.754 0.000 -1.187) 3.937 12.969 ( 7.209 0.000 1.980) 7.476 13.080 ( 2.462 0.000 3.133) 3.984 13.113 ( -0.970 0.000 -4.042) 4.157 13.168 ( 4.867 0.000 0.561) 4.900 13.250 ( -8.814 0.000 -2.555) 9.177 13.397 ( -6.689 0.000 4.445) 8.031 13.415 ( 0.834 0.000 0.372) 0.913 13.500 ( -8.148 0.000 -2.372) 8.486 13.614 ( 1.185 0.000 3.352) 3.555 13.691 ( -6.772 0.000 0.665) 6.804 13.749 ( -0.421 0.000 -0.325) 0.532 13.769 ( 6.850 0.000 -7.828) 10.402 14.164 ( 5.947 0.000 -3.081) 6.698 14.189 ( 6.200 0.000 -2.152) 6.563 14.363 ( 2.086 0.000 3.413) 4.000 14.493 ( 6.162 0.000 1.112) 6.261 14.610 ( -8.281 0.000 -6.822) 10.729 14.737 ( -7.037 0.000 -1.563) 7.209 14.766 ( 9.462 0.000 5.074) 10.737 15.078 ( -2.308 0.000 -2.655) 3.518 15.247 ( -0.588 0.000 -0.417) 0.721 15.368 ( -0.969 0.000 1.560) 1.837 15.443 ( 0.730 0.000 1.553) 1.716 15.503 ( 2.680 0.000 -3.893) 4.726 15.548 ( -1.340 0.000 -2.065) 2.462 15.803 ( 10.512 0.000 8.732) 13.666 15.933 ( 8.777 0.000 -3.584) 9.481 16.061 ( -4.136 0.000 -4.000) 5.754 16.224 ( 1.658 0.000 -6.689) 6.892 16.225 ( -1.697 0.000 2.373) 2.917 16.421 ( 4.917 0.000 2.937) 5.727 16.494 ( -7.802 0.000 3.413) 8.516 16.844 ( -6.386 0.000 -5.053) 8.143 16.918 ( 1.493 0.000 -0.041) 1.493 16.935 ( -7.118 0.000 -0.391) 7.129 19.165 ( -0.225 0.000 -2.186) 2.197 19.356 ( 2.704 0.000 -0.947) 2.865 19.522 ( -3.267 0.000 -2.399) 4.053 19.659 ( 3.325 0.000 -2.427) 4.117 20.830 ( -1.794 0.000 1.959) 2.656 21.050 ( -2.654 0.000 -2.872) 3.911 21.139 ( 2.231 0.000 2.771) 3.558 21.159 ( 0.412 0.000 0.710) 0.821 25.048 ( -1.013 0.000 0.993) 1.418 25.102 ( 3.889 0.000 0.991) 4.013 25.327 ( -2.109 0.000 2.960) 3.635 25.531 ( 0.627 0.000 9.807) 9.827 25.951 ( 0.770 0.000 -4.336) 4.404 25.966 ( -1.937 0.000 -4.201) 4.626 26.058 ( 0.559 0.000 3.650) 3.692 26.164 ( 1.816 0.000 2.520) 3.106 26.545 ( -3.916 0.000 -7.012) 8.031 26.641 ( -0.975 0.000 2.726) 2.896 26.923 ( -1.699 0.000 3.924) 4.276 27.155 ( -3.005 0.000 -0.244) 3.015 27.327 ( -2.019 0.000 0.043) 2.019 27.365 ( -7.235 0.000 3.549) 8.058 27.430 ( 2.438 0.000 4.609) 5.215 27.506 ( -0.529 0.000 -2.207) 2.269 27.569 ( -0.785 0.000 -1.676) 1.850 27.580 ( 0.141 0.000 3.867) 3.870 27.644 ( 0.632 0.000 -2.753) 2.825 27.975 ( -4.988 0.000 -3.412) 6.043 28.089 ( 2.600 0.000 -5.071) 5.699 28.092 ( 1.309 0.000 0.077) 1.312 28.204 ( -1.082 0.000 0.576) 1.226 28.288 ( -3.583 0.000 4.051) 5.409 28.350 ( 3.308 0.000 -0.319) 3.323 28.500 ( 3.516 0.000 3.003) 4.624 28.602 ( 5.776 0.000 1.608) 5.995 28.870 ( 8.597 0.000 -1.633) 8.750 28.982 ( 10.647 0.000 -2.986) 11.058 29.108 ( 4.780 0.000 5.237) 7.090 29.161 ( 5.020 0.000 -11.766) 12.793 29.334 ( -0.555 0.000 9.588) 9.604 29.701 ( -2.761 0.000 -5.280) 5.959 29.777 ( 0.653 0.000 3.577) 3.636 29.979 ( -1.844 0.000 4.991) 5.320 30.412 ( 0.006 0.000 -7.590) 7.590 30.641 ( -5.219 0.000 -12.325) 13.385 30.775 ( -4.852 0.000 9.526) 10.690 30.982 ( -6.463 0.000 12.152) 13.764 31.137 ( -0.625 0.000 -13.030) 13.045 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.770 0.000 36.619) 38.170 1.107 ( -19.986 0.000 24.286) 31.452 1.630 ( 7.289 0.000 -16.651) 18.177 1.916 ( 4.729 0.000 10.828) 11.815 1.984 ( -6.561 0.000 14.275) 15.711 2.006 ( 13.705 0.000 -17.993) 22.618 2.104 ( -19.257 0.000 22.730) 29.790 2.342 ( 8.790 0.000 -3.558) 9.483 2.392 ( -0.802 0.000 -0.176) 0.821 2.513 ( -1.068 0.000 -5.962) 6.057 2.558 ( 0.819 0.000 8.360) 8.400 2.692 ( -2.348 0.000 2.458) 3.399 2.731 ( 4.602 0.000 0.685) 4.652 2.794 ( -5.299 0.000 1.817) 5.602 2.923 ( -0.338 0.000 2.587) 2.609 2.981 ( 5.640 0.000 0.163) 5.642 3.009 ( -2.482 0.000 -2.542) 3.553 3.074 ( -1.690 0.000 1.352) 2.164 3.142 ( 1.104 0.000 2.959) 3.158 3.278 ( -5.786 0.000 -6.176) 8.462 3.283 ( 0.414 0.000 5.999) 6.013 3.407 ( -5.236 0.000 -0.287) 5.244 3.507 ( 0.719 0.000 4.627) 4.682 3.560 ( 1.669 0.000 -11.309) 11.432 3.625 ( -2.514 0.000 -0.236) 2.525 3.725 ( 2.700 0.000 2.374) 3.595 3.917 ( -1.413 0.000 0.265) 1.438 3.928 ( 1.188 0.000 -2.851) 3.089 4.058 ( -0.649 0.000 -0.226) 0.688 4.111 ( -2.376 0.000 -10.405) 10.673 4.263 ( 0.622 0.000 2.013) 2.107 4.284 ( -4.589 0.000 6.001) 7.554 4.303 ( -4.326 0.000 -0.106) 4.327 4.363 ( -1.901 0.000 -3.970) 4.402 4.439 ( 9.518 0.000 0.192) 9.520 4.493 ( 1.641 0.000 0.138) 1.647 4.554 ( 0.042 0.000 -2.305) 2.306 4.664 ( 3.675 0.000 3.506) 5.079 4.717 ( -1.673 0.000 5.854) 6.089 4.742 ( 2.403 0.000 -1.492) 2.828 4.851 ( -5.636 0.000 4.108) 6.975 4.967 ( 1.606 0.000 -6.735) 6.923 5.000 ( -0.582 0.000 2.745) 2.806 5.039 ( 0.892 0.000 -3.103) 3.229 5.124 ( 1.305 0.000 -6.102) 6.240 5.227 ( 1.778 0.000 -3.317) 3.764 5.304 ( -3.910 0.000 -6.846) 7.884 5.326 ( 3.272 0.000 -2.606) 4.183 5.445 ( -2.194 0.000 -1.378) 2.591 5.466 ( 5.683 0.000 -10.287) 11.752 5.547 ( 1.029 0.000 1.579) 1.884 5.704 ( -2.197 0.000 -1.552) 2.690 5.753 ( 0.749 0.000 1.625) 1.789 5.801 ( 2.878 0.000 2.330) 3.702 5.894 ( 4.629 0.000 -1.378) 4.830 5.949 ( 0.226 0.000 3.055) 3.063 5.977 ( 2.234 0.000 -5.704) 6.126 6.074 ( 1.424 0.000 -1.233) 1.883 6.163 ( -2.624 0.000 1.113) 2.850 6.202 ( -6.688 0.000 -1.195) 6.794 6.327 ( -2.719 0.000 1.309) 3.018 6.343 ( -0.960 0.000 1.169) 1.513 6.437 ( 1.881 0.000 2.153) 2.859 6.525 ( -0.786 0.000 -1.608) 1.790 6.749 ( 5.688 0.000 9.227) 10.839 6.859 ( 6.882 0.000 0.648) 6.913 6.989 ( -4.126 0.000 4.340) 5.989 7.080 ( 2.186 0.000 0.697) 2.294 7.200 ( 1.392 0.000 -2.729) 3.064 7.230 ( -1.352 0.000 -1.734) 2.198 7.304 ( -1.453 0.000 3.953) 4.211 7.439 ( 2.423 0.000 -0.737) 2.533 7.652 ( 2.383 0.000 3.923) 4.590 7.721 ( -1.500 0.000 2.705) 3.093 7.822 ( -3.409 0.000 4.948) 6.009 7.887 ( 0.585 0.000 -0.272) 0.645 8.210 ( 1.895 0.000 2.047) 2.790 8.305 ( 1.650 0.000 -5.359) 5.607 8.349 ( 5.188 0.000 -2.936) 5.961 8.519 ( 1.153 0.000 1.458) 1.859 8.550 ( 6.846 0.000 3.445) 7.664 8.721 ( 1.753 0.000 -0.639) 1.866 8.782 ( 1.637 0.000 -5.324) 5.570 8.862 ( -0.273 0.000 3.117) 3.128 8.876 ( -0.381 0.000 -2.167) 2.200 8.909 ( 2.162 0.000 -1.430) 2.592 8.995 ( 7.073 0.000 -3.221) 7.772 9.122 ( -5.717 0.000 1.090) 5.820 9.226 ( 0.780 0.000 1.451) 1.647 9.334 ( -1.849 0.000 -2.474) 3.089 9.414 ( -1.784 0.000 -1.494) 2.327 9.489 ( -2.494 0.000 -0.125) 2.497 9.636 ( -7.427 0.000 1.646) 7.607 9.773 ( -4.301 0.000 5.437) 6.932 9.814 ( 3.220 0.000 -7.272) 7.953 9.895 ( 3.496 0.000 -3.975) 5.293 9.987 ( -1.795 0.000 2.543) 3.113 10.165 ( 0.679 0.000 -6.273) 6.310 10.331 ( 4.305 0.000 0.944) 4.407 10.377 ( -1.766 0.000 1.177) 2.122 10.642 ( 3.791 0.000 5.142) 6.388 10.730 ( 0.284 0.000 1.058) 1.095 10.819 ( 3.294 0.000 5.500) 6.411 10.933 ( 1.173 0.000 -1.944) 2.270 11.000 ( 0.403 0.000 6.858) 6.870 11.019 ( -2.439 0.000 -7.019) 7.430 11.214 ( -0.422 0.000 -7.633) 7.644 11.376 ( -3.208 0.000 -3.793) 4.968 11.918 ( -0.157 0.000 1.315) 1.324 12.057 ( 0.074 0.000 -1.044) 1.047 12.128 ( 1.387 0.000 4.671) 4.872 12.141 ( 6.097 0.000 -1.523) 6.284 12.276 ( 0.971 0.000 4.203) 4.314 12.289 ( -0.231 0.000 1.979) 1.993 12.321 ( -1.878 0.000 0.207) 1.889 12.346 ( -0.080 0.000 4.033) 4.033 12.468 ( -5.256 0.000 2.112) 5.665 12.554 ( 4.533 0.000 2.560) 5.206 12.786 ( 1.475 0.000 -3.441) 3.744 12.816 ( 1.098 0.000 2.102) 2.371 12.858 ( -0.813 0.000 -0.686) 1.064 13.003 ( -3.411 0.000 -2.491) 4.224 13.033 ( -8.818 0.000 -1.693) 8.979 13.140 ( 4.616 0.000 0.493) 4.642 13.190 ( 3.501 0.000 3.962) 5.287 13.208 ( -4.742 0.000 -0.904) 4.827 13.348 ( -0.308 0.000 2.895) 2.912 13.408 ( -0.588 0.000 8.094) 8.115 13.475 ( 3.211 0.000 1.024) 3.371 13.605 ( -4.498 0.000 2.271) 5.038 13.682 ( 1.262 0.000 0.179) 1.275 13.721 ( 8.291 0.000 -10.498) 13.377 13.900 ( 7.284 0.000 5.149) 8.920 14.197 ( -2.343 0.000 -1.826) 2.970 14.260 ( 4.003 0.000 -0.929) 4.110 14.343 ( -10.387 0.000 2.786) 10.754 14.454 ( -0.668 0.000 -5.385) 5.426 14.494 ( -0.906 0.000 -5.520) 5.594 14.736 ( 6.956 0.000 1.109) 7.044 14.898 ( 1.143 0.000 0.684) 1.332 15.021 ( -0.546 0.000 -1.076) 1.206 15.243 ( 0.226 0.000 -0.691) 0.727 15.348 ( -2.064 0.000 0.467) 2.117 15.423 ( -3.851 0.000 -7.756) 8.659 15.483 ( 1.035 0.000 2.635) 2.831 15.544 ( 1.396 0.000 -0.223) 1.414 15.973 ( -1.932 0.000 -1.398) 2.385 16.023 ( 4.882 0.000 -2.985) 5.722 16.039 ( 11.204 0.000 -0.709) 11.226 16.187 ( -5.135 0.000 -0.382) 5.149 16.217 ( 2.261 0.000 -1.865) 2.931 16.423 ( -5.502 0.000 5.876) 8.050 16.502 ( 2.719 0.000 -2.093) 3.432 16.668 ( -8.039 0.000 -7.646) 11.094 16.804 ( -7.050 0.000 0.453) 7.065 16.819 ( -8.173 0.000 -5.619) 9.918 19.140 ( 0.641 0.000 -3.357) 3.418 19.210 ( -11.483 0.000 -5.029) 12.536 19.512 ( 1.526 0.000 3.328) 3.661 19.675 ( 1.323 0.000 -2.846) 3.138 20.842 ( -0.874 0.000 2.806) 2.939 20.964 ( -2.942 0.000 -2.770) 4.041 21.212 ( 1.802 0.000 3.445) 3.888 21.245 ( 7.372 0.000 0.941) 7.431 25.038 ( -1.256 0.000 1.488) 1.947 25.158 ( 3.512 0.000 -4.623) 5.806 25.354 ( 0.388 0.000 5.164) 5.178 25.597 ( -4.233 0.000 2.540) 4.936 25.895 ( -1.662 0.000 -3.026) 3.453 25.937 ( 1.315 0.000 -4.290) 4.487 26.106 ( 0.867 0.000 3.181) 3.297 26.183 ( -1.350 0.000 -0.563) 1.463 26.465 ( 2.155 0.000 5.362) 5.779 26.675 ( 0.058 0.000 5.315) 5.316 26.961 ( 0.367 0.000 4.481) 4.496 27.093 ( -3.216 0.000 -1.327) 3.479 27.218 ( -11.755 0.000 1.235) 11.819 27.280 ( -3.384 0.000 -1.577) 3.733 27.442 ( -2.833 0.000 -2.051) 3.498 27.448 ( -0.239 0.000 -3.403) 3.412 27.518 ( -1.138 0.000 -4.286) 4.435 27.518 ( -2.208 0.000 -3.502) 4.140 27.729 ( 6.385 0.000 3.167) 7.128 28.048 ( 3.205 0.000 -2.079) 3.820 28.089 ( 2.346 0.000 -3.583) 4.283 28.144 ( 2.667 0.000 0.617) 2.737 28.175 ( 3.829 0.000 3.601) 5.256 28.292 ( -2.404 0.000 5.675) 6.163 28.421 ( 4.738 0.000 0.328) 4.750 28.563 ( 0.057 0.000 1.009) 1.011 28.748 ( 8.058 0.000 5.168) 9.573 28.980 ( 5.622 0.000 -1.956) 5.952 29.159 ( 4.566 0.000 -5.171) 6.898 29.218 ( 5.515 0.000 0.184) 5.518 29.231 ( 18.738 0.000 -2.653) 18.925 29.332 ( -8.805 0.000 -0.234) 8.809 29.609 ( -1.094 0.000 3.870) 4.022 29.822 ( -1.071 0.000 4.315) 4.446 30.028 ( -1.544 0.000 8.462) 8.601 30.270 ( -6.685 0.000 -5.279) 8.518 30.505 ( 1.888 0.000 -5.585) 5.896 30.750 ( -5.870 0.000 1.170) 5.986 30.973 ( -3.913 0.000 -6.360) 7.468 30.976 ( -5.728 0.000 7.371) 9.335 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -8.266 12.308 21.146) 25.825 1.539 ( 3.385 12.324 17.332) 21.534 1.650 ( 5.339 4.853 -7.047) 10.085 1.999 ( 4.944 -0.970 -5.333) 7.336 2.096 ( 8.845 -2.157 -4.208) 10.030 2.164 ( -3.279 -8.932 -2.563) 9.854 2.221 ( 7.198 -2.640 2.561) 8.083 2.310 ( -0.304 7.930 25.593) 26.795 2.406 ( 2.571 0.019 -0.835) 2.704 2.498 ( 3.299 -1.949 4.079) 5.596 2.619 ( -0.103 1.696 5.259) 5.527 2.769 ( -4.596 2.037 1.056) 5.137 2.828 ( 1.446 -4.499 0.930) 4.816 2.848 ( 1.500 0.291 5.226) 5.445 2.893 ( 0.136 3.687 4.179) 5.575 2.925 ( -4.944 1.523 0.277) 5.180 3.019 ( -5.643 1.221 -5.295) 7.835 3.074 ( 3.009 0.702 -11.078) 11.501 3.106 ( -3.266 -2.805 -0.480) 4.332 3.126 ( 2.955 -1.353 -2.176) 3.911 3.281 ( -2.327 -0.412 2.235) 3.253 3.314 ( 1.746 3.395 -0.597) 3.864 3.544 ( 4.864 2.595 -2.537) 6.069 3.608 ( -2.892 3.417 -8.308) 9.437 3.714 ( 4.012 4.287 4.275) 7.262 3.808 ( 0.382 2.239 -4.739) 5.255 3.863 ( 2.198 1.737 2.462) 3.730 3.969 ( -2.032 1.835 -0.910) 2.885 4.062 ( -1.193 3.172 1.152) 3.580 4.082 ( -1.855 3.438 2.819) 4.818 4.153 ( -3.700 -0.523 -3.301) 4.986 4.173 ( -2.721 -2.095 -4.470) 5.636 4.280 ( 1.057 -1.566 6.313) 6.589 4.322 ( -1.544 -2.972 3.314) 4.712 4.420 ( 0.233 -5.262 -1.878) 5.592 4.487 ( -0.145 -2.905 -5.970) 6.640 4.547 ( -4.162 -3.447 2.386) 5.907 4.636 ( 8.237 -5.928 -3.271) 10.663 4.773 ( -0.124 1.049 2.699) 2.898 4.805 ( 0.634 -0.546 2.300) 2.448 4.860 ( 1.012 -0.098 0.652) 1.208 4.919 ( -0.557 -3.694 -3.576) 5.171 5.015 ( 1.406 2.147 0.663) 2.651 5.057 ( -0.136 6.748 -1.374) 6.888 5.096 ( -2.201 1.586 1.633) 3.166 5.144 ( -0.892 2.430 -6.755) 7.235 5.302 ( -3.997 4.841 -2.165) 6.641 5.320 ( 2.108 0.529 -3.350) 3.994 5.381 ( -3.769 1.643 -1.698) 4.448 5.436 ( 2.327 1.131 -5.243) 5.846 5.577 ( -1.717 -2.283 1.902) 3.433 5.605 ( -1.270 -2.132 -1.238) 2.773 5.733 ( -0.712 -5.136 4.117) 6.621 5.814 ( -0.237 -4.044 -1.636) 4.368 5.852 ( 3.532 -5.523 -0.575) 6.581 5.904 ( -2.014 -3.798 -4.384) 6.140 5.978 ( 2.045 -1.551 -0.202) 2.574 5.993 ( -0.805 -2.007 -1.467) 2.613 6.155 ( -0.062 -0.607 1.579) 1.693 6.192 ( 0.716 0.021 -2.848) 2.937 6.306 ( -0.798 -0.035 1.876) 2.039 6.336 ( -0.287 -0.665 -0.163) 0.742 6.496 ( -0.045 1.301 2.235) 2.587 6.522 ( 0.941 0.891 -0.223) 1.315 6.868 ( -4.341 0.103 5.464) 6.979 6.934 ( 4.028 -0.386 -0.867) 4.138 7.008 ( 0.234 -3.143 8.102) 8.693 7.116 ( 2.071 -1.969 0.285) 2.872 7.191 ( -0.793 5.643 -0.948) 5.776 7.250 ( -0.499 5.655 -4.651) 7.339 7.395 ( 3.059 0.662 1.730) 3.576 7.434 ( -1.406 0.504 -2.206) 2.664 7.730 ( 0.547 -0.382 3.305) 3.372 7.741 ( 1.975 -0.647 1.804) 2.752 7.823 ( -1.769 1.359 1.353) 2.608 7.845 ( -0.949 0.161 -1.709) 1.962 8.298 ( 0.570 1.964 -2.023) 2.877 8.320 ( 3.986 1.773 -2.856) 5.215 8.480 ( 0.302 3.769 1.205) 3.968 8.512 ( 0.105 6.503 -1.321) 6.637 8.634 ( -2.185 2.473 3.328) 4.686 8.699 ( 1.922 -1.528 -2.874) 3.780 8.765 ( -8.669 -0.544 1.329) 8.787 8.809 ( 4.721 1.040 -2.497) 5.441 8.873 ( -4.143 -4.429 3.884) 7.202 8.951 ( 6.542 -1.361 -3.178) 7.399 9.032 ( -2.972 -2.187 0.463) 3.719 9.081 ( 4.404 0.383 -3.790) 5.822 9.233 ( 0.951 -2.920 0.789) 3.170 9.243 ( -3.802 -3.307 -0.430) 5.057 9.402 ( -0.272 1.615 4.125) 4.438 9.490 ( 1.383 2.484 -4.104) 4.993 9.556 ( -2.456 -1.697 6.212) 6.892 9.686 ( 1.357 -5.381 -6.662) 8.670 9.805 ( -1.384 0.406 6.071) 6.240 9.937 ( 3.417 1.211 -6.843) 7.744 10.029 ( -0.009 1.872 2.734) 3.314 10.104 ( -0.285 -0.883 -4.312) 4.411 10.336 ( -3.347 -1.856 2.861) 4.779 10.354 ( 0.431 -1.328 1.194) 1.837 10.669 ( 1.564 -6.391 3.903) 7.650 10.732 ( 1.549 -6.630 -0.639) 6.838 10.847 ( -1.937 -3.140 0.086) 3.690 10.867 ( 1.866 -5.241 0.375) 5.576 10.994 ( -0.084 4.656 3.490) 5.819 11.128 ( 1.680 2.050 -1.492) 3.041 11.135 ( 1.653 0.543 -0.590) 1.838 11.251 ( -4.297 -1.364 -5.477) 7.094 11.931 ( -1.625 -2.537 1.701) 3.459 11.940 ( -0.421 -2.451 1.219) 2.769 12.120 ( -2.736 -3.830 1.504) 4.942 12.165 ( 3.577 -4.940 -2.640) 6.646 12.333 ( 4.498 3.876 3.192) 6.742 12.367 ( -3.809 3.617 -0.547) 5.281 12.419 ( -1.315 9.925 3.748) 10.690 12.460 ( -0.717 1.068 4.962) 5.126 12.482 ( 0.214 9.779 -2.706) 10.149 12.576 ( 2.773 -1.655 -2.301) 3.965 12.703 ( -0.651 -2.949 0.381) 3.044 12.783 ( -0.760 -3.290 -4.114) 5.323 12.834 ( 1.437 -4.683 1.145) 5.031 12.881 ( 0.090 -1.418 -3.579) 3.850 13.063 ( 0.648 4.005 1.390) 4.289 13.101 ( -1.533 2.349 -1.589) 3.223 13.192 ( -6.197 -1.054 4.831) 7.928 13.254 ( 1.550 2.229 -1.447) 3.076 13.369 ( -1.149 -3.018 8.683) 9.264 13.482 ( 0.864 -2.767 -1.672) 3.346 13.553 ( -3.757 0.606 5.135) 6.392 13.620 ( 4.498 -0.227 -1.370) 4.707 13.656 ( 0.362 -0.205 -1.117) 1.192 13.740 ( 6.638 -1.371 -9.539) 11.702 14.127 ( 3.627 2.145 10.899) 11.685 14.217 ( -0.245 3.650 1.350) 3.899 14.247 ( -1.821 9.331 -1.752) 9.667 14.331 ( 0.115 2.174 -7.626) 7.931 14.395 ( -1.187 3.223 -0.122) 3.437 14.465 ( -1.414 3.621 -5.551) 6.777 14.826 ( -3.686 -2.797 2.053) 5.062 14.853 ( 2.422 -1.975 -1.656) 3.537 15.082 ( 4.358 2.776 3.707) 6.359 15.186 ( -5.782 1.667 -6.279) 8.697 15.340 ( 1.530 2.345 0.264) 2.812 15.354 ( -1.665 2.670 -1.629) 3.544 15.574 ( 0.281 5.313 2.032) 5.695 15.607 ( -0.451 4.518 -0.631) 4.584 15.826 ( -6.213 -7.853 4.261) 10.882 15.927 ( 0.882 -7.777 -5.402) 9.509 16.111 ( -4.362 5.045 1.988) 6.959 16.168 ( 0.656 -0.155 -4.051) 4.106 16.237 ( -0.613 -4.540 7.357) 8.666 16.313 ( 1.825 -4.860 -0.624) 5.229 16.536 ( 0.641 5.369 -1.665) 5.658 16.563 ( 1.075 1.924 -3.816) 4.406 16.734 ( -0.855 -0.344 -0.007) 0.922 16.735 ( 0.206 0.016 -0.059) 0.214 19.103 ( -3.010 2.846 1.763) 4.502 19.154 ( 2.137 2.897 -3.498) 5.019 19.513 ( 0.118 -5.692 3.737) 6.811 19.584 ( 0.063 -6.271 -3.498) 7.181 20.908 ( 0.237 5.298 2.386) 5.815 20.951 ( -0.632 4.222 -1.945) 4.691 21.223 ( -0.662 -3.242 2.908) 4.405 21.275 ( 1.391 -5.284 -1.967) 5.808 25.050 ( -0.541 0.556 2.854) 2.958 25.112 ( -0.481 -1.316 -3.040) 3.347 25.406 ( 2.136 -2.772 3.925) 5.258 25.446 ( -3.384 -3.467 0.183) 4.848 25.900 ( -0.121 3.847 -0.340) 3.864 25.930 ( -0.749 3.135 -2.979) 4.389 26.161 ( -0.175 1.290 1.282) 1.827 26.174 ( -0.202 0.463 0.178) 0.536 26.665 ( 9.070 -0.864 4.110) 9.995 26.701 ( -0.797 -1.088 0.750) 1.543 26.993 ( -0.708 -0.050 -0.580) 0.917 27.014 ( -2.158 -0.628 -2.466) 3.336 27.113 ( -2.730 2.793 6.464) 7.553 27.227 ( 0.035 2.306 -4.356) 4.929 27.389 ( -2.161 -4.095 1.968) 5.031 27.423 ( 1.219 -1.098 -1.692) 2.357 27.479 ( 0.717 4.215 1.080) 4.410 27.537 ( -1.498 6.302 -4.622) 7.957 27.855 ( 3.650 -1.748 4.006) 5.694 27.949 ( -3.867 -2.734 -5.385) 7.171 28.126 ( -1.229 3.373 0.644) 3.647 28.143 ( 0.124 3.738 -1.170) 3.919 28.316 ( -2.566 2.475 2.510) 4.360 28.364 ( 5.216 1.616 -2.238) 5.901 28.448 ( 2.375 -5.601 0.967) 6.160 28.471 ( -1.512 -5.496 -1.122) 5.810 28.847 ( -3.383 -7.268 4.506) 9.197 28.891 ( 1.668 -7.622 0.309) 7.808 29.147 ( -8.491 3.414 4.807) 10.337 29.236 ( 4.774 4.206 -4.143) 7.593 29.350 ( 1.270 -0.005 -1.761) 2.172 29.356 ( 2.439 0.003 -1.708) 2.978 29.779 ( -6.952 2.166 3.190) 7.949 29.823 ( 10.752 1.374 -1.192) 10.905 30.064 ( -4.085 0.972 6.856) 8.040 30.160 ( 1.672 -1.623 -2.328) 3.294 30.592 ( 5.368 1.624 0.041) 5.608 30.622 ( -5.525 2.056 -2.613) 6.448 30.879 ( -3.684 -4.679 1.631) 6.174 30.934 ( 7.569 -5.197 -3.891) 9.972 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.889 11.471 12.671) 17.115 1.622 ( 8.348 10.476 -8.729) 15.988 1.688 ( -5.566 11.429 9.647) 15.958 1.771 ( -8.506 6.181 -26.141) 28.176 2.006 ( -5.181 -4.735 -8.050) 10.681 2.189 ( 2.251 -6.278 -3.615) 7.586 2.234 ( -4.164 -9.182 -9.661) 13.963 2.295 ( -5.673 0.468 -1.386) 5.859 2.452 ( -5.177 -1.586 0.457) 5.434 2.574 ( 3.676 0.238 -0.617) 3.735 2.682 ( 1.407 -7.757 -1.602) 8.045 2.766 ( -5.548 1.549 -0.997) 5.846 2.834 ( 2.029 1.654 2.540) 3.648 2.874 ( -0.087 2.640 -2.063) 3.351 2.939 ( 1.939 0.428 9.337) 9.546 2.966 ( 5.218 5.834 1.460) 7.962 2.982 ( -0.687 -0.306 -2.414) 2.529 3.045 ( 5.070 -2.734 -1.649) 5.992 3.104 ( 8.684 4.393 8.129) 12.681 3.206 ( 3.178 4.280 0.195) 5.334 3.256 ( -1.384 -6.410 1.629) 6.757 3.365 ( 2.933 3.441 0.401) 4.539 3.471 ( 0.276 1.874 -8.302) 8.515 3.633 ( 2.102 3.127 1.410) 4.023 3.699 ( -1.493 3.559 -5.292) 6.550 3.771 ( -0.576 -0.130 2.746) 2.809 3.881 ( -1.082 1.852 -5.632) 6.027 3.997 ( 2.943 3.899 2.803) 5.632 4.067 ( -1.684 3.943 -0.649) 4.336 4.100 ( -0.559 4.535 2.086) 5.023 4.132 ( 1.595 0.237 5.292) 5.532 4.191 ( 3.637 -1.325 3.332) 5.107 4.294 ( 0.244 -2.836 1.601) 3.266 4.385 ( 2.286 -1.343 3.455) 4.355 4.438 ( 2.984 -4.894 -3.424) 6.677 4.461 ( -0.418 -1.115 2.829) 3.069 4.486 ( -1.586 -3.390 0.640) 3.797 4.640 ( -1.255 -8.486 -5.517) 10.199 4.734 ( -5.414 -1.744 -1.871) 5.988 4.832 ( 0.708 0.855 0.673) 1.298 4.889 ( 0.882 -2.920 1.582) 3.436 4.925 ( 3.512 1.594 -5.455) 6.680 5.019 ( 0.449 2.454 -0.820) 2.626 5.036 ( -2.496 2.082 -0.993) 3.399 5.094 ( 2.457 5.939 7.872) 10.163 5.139 ( -1.004 1.839 -1.124) 2.377 5.235 ( -1.694 -0.238 2.037) 2.660 5.307 ( -2.758 1.271 1.212) 3.270 5.345 ( -1.140 3.613 3.337) 5.049 5.442 ( 2.431 1.003 -2.154) 3.399 5.540 ( -3.333 -1.625 1.718) 4.087 5.621 ( 0.326 -3.791 2.520) 4.564 5.743 ( -3.602 -6.547 3.631) 8.308 5.786 ( -0.311 -5.019 -2.991) 5.851 5.865 ( 2.005 -0.849 -3.699) 4.292 5.885 ( -1.289 -0.412 0.466) 1.431 5.949 ( 1.050 -4.138 0.425) 4.290 6.007 ( -0.557 -2.624 -0.413) 2.715 6.159 ( -0.489 -1.669 -1.214) 2.121 6.200 ( 2.140 -0.739 1.350) 2.636 6.301 ( -1.462 -0.988 1.546) 2.346 6.342 ( 0.737 -0.912 0.275) 1.204 6.494 ( -1.280 0.623 -0.163) 1.433 6.526 ( 0.303 1.321 -1.076) 1.731 6.809 ( -6.854 -0.598 2.394) 7.285 6.933 ( -3.856 2.932 -2.636) 5.515 7.025 ( -0.168 -4.348 0.891) 4.442 7.103 ( -1.467 1.608 -2.877) 3.608 7.203 ( 0.806 5.117 -1.369) 5.358 7.233 ( 1.285 4.758 2.280) 5.430 7.362 ( -1.328 -0.734 -3.209) 3.549 7.495 ( 4.901 0.206 -0.224) 4.910 7.716 ( -1.541 -0.765 -2.147) 2.752 7.769 ( -2.106 2.219 -1.290) 3.320 7.810 ( 1.256 -2.532 2.468) 3.752 7.856 ( 1.067 -0.137 1.679) 1.994 8.276 ( -0.522 -0.015 -3.435) 3.475 8.324 ( 0.983 2.302 -2.747) 3.717 8.396 ( -5.616 5.585 -0.312) 7.927 8.538 ( -4.563 -0.472 0.378) 4.603 8.570 ( -10.805 3.202 1.072) 11.320 8.666 ( 2.335 1.907 2.681) 4.034 8.716 ( 1.204 0.070 -0.524) 1.315 8.807 ( -5.391 -3.553 1.915) 6.734 8.860 ( -0.925 1.954 2.765) 3.510 8.975 ( 1.366 1.898 -4.104) 4.723 9.011 ( 1.033 -1.286 -2.861) 3.302 9.104 ( 1.508 1.445 0.834) 2.249 9.199 ( -1.711 -4.297 1.135) 4.762 9.256 ( -0.883 -2.950 2.695) 4.093 9.408 ( 3.480 -0.948 -1.743) 4.006 9.555 ( 5.362 3.393 -1.339) 6.485 9.589 ( -1.808 -4.747 6.045) 7.896 9.674 ( 4.341 -4.659 -5.535) 8.437 9.827 ( -2.524 0.541 4.236) 4.961 9.940 ( 5.468 1.709 -6.847) 8.928 10.052 ( -0.761 1.779 3.210) 3.748 10.068 ( 0.002 -0.381 -2.191) 2.224 10.278 ( -5.551 -2.589 1.967) 6.433 10.363 ( -1.066 -0.317 1.651) 1.991 10.672 ( -0.497 -2.833 -2.493) 3.806 10.751 ( 1.659 -8.303 -2.798) 8.917 10.805 ( -4.414 -4.007 2.794) 6.584 10.880 ( 0.626 -0.485 -2.000) 2.151 10.984 ( -3.620 -1.073 0.576) 3.819 11.107 ( 0.403 2.631 0.177) 2.668 11.121 ( -1.218 1.289 -3.016) 3.499 11.286 ( 5.078 0.803 5.328) 7.404 11.915 ( -0.382 -1.272 1.201) 1.790 11.999 ( 3.059 -3.427 1.969) 4.998 12.082 ( -2.752 -2.006 1.012) 3.553 12.192 ( 2.033 -3.886 -2.653) 5.125 12.276 ( -2.961 1.814 -1.991) 4.003 12.384 ( -5.137 7.165 0.792) 8.852 12.411 ( -0.675 7.057 0.460) 7.105 12.471 ( 4.005 5.251 -0.250) 6.609 12.504 ( -1.177 -2.123 3.873) 4.571 12.583 ( 3.951 -0.057 -6.277) 7.417 12.701 ( -0.801 -2.417 -0.475) 2.590 12.784 ( 1.934 -2.512 0.896) 3.294 12.828 ( -0.723 -2.562 0.233) 2.672 12.940 ( 3.704 -3.671 -0.577) 5.246 12.998 ( -1.894 0.907 2.626) 3.362 13.134 ( -5.049 0.746 4.339) 6.699 13.164 ( 2.277 -0.642 1.103) 2.610 13.286 ( 1.079 5.662 1.883) 6.064 13.378 ( -5.799 -1.767 -1.818) 6.329 13.432 ( -4.222 -5.042 4.156) 7.779 13.511 ( 0.014 -2.330 -0.817) 2.469 13.582 ( -1.030 1.217 -0.260) 1.615 13.701 ( 2.967 0.656 -6.587) 7.254 13.732 ( 2.652 2.450 -5.393) 6.490 14.106 ( -7.918 5.770 -7.324) 12.232 14.213 ( -1.129 3.422 3.176) 4.804 14.279 ( 1.766 3.856 -0.377) 4.258 14.326 ( 1.837 -1.814 -0.672) 2.667 14.449 ( 5.914 6.583 4.408) 9.886 14.466 ( 5.678 4.221 0.006) 7.075 14.754 ( -5.907 0.905 2.021) 6.308 14.853 ( -1.630 -4.145 -0.232) 4.460 15.028 ( -4.094 0.774 -2.641) 4.933 15.215 ( 2.851 2.995 5.035) 6.516 15.318 ( -0.139 0.921 -0.486) 1.051 15.385 ( 2.147 2.499 1.063) 3.462 15.556 ( -2.439 3.591 0.110) 4.342 15.598 ( -0.787 6.401 0.468) 6.466 15.788 ( -6.171 -6.373 6.888) 11.231 15.900 ( 1.076 -4.721 -0.662) 4.887 16.045 ( -7.406 4.914 4.844) 10.123 16.171 ( 2.132 -1.774 -1.202) 3.023 16.257 ( -0.934 -2.936 0.454) 3.114 16.401 ( 6.772 -5.220 0.698) 8.578 16.532 ( 1.225 2.017 -2.049) 3.126 16.623 ( 7.149 2.355 -2.180) 7.836 16.759 ( 2.970 -0.984 0.377) 3.151 16.786 ( 5.047 -2.171 0.975) 5.580 19.107 ( 0.356 2.262 2.362) 3.290 19.192 ( 4.863 2.273 -0.565) 5.398 19.537 ( -0.962 -5.867 0.427) 5.961 19.544 ( -1.051 -4.964 -0.763) 5.131 20.919 ( 0.275 3.146 -0.465) 3.192 20.968 ( 2.324 5.694 0.928) 6.220 21.177 ( -4.635 -4.294 0.283) 6.325 21.272 ( -0.896 -2.072 -1.105) 2.514 25.070 ( -0.952 0.144 2.899) 3.055 25.079 ( -0.150 0.025 -1.583) 1.590 25.405 ( -0.297 -1.600 -1.038) 1.930 25.516 ( 4.970 -5.611 2.593) 7.932 25.890 ( -0.762 3.282 0.327) 3.385 25.926 ( 0.953 3.642 1.027) 3.903 26.165 ( -0.752 1.298 -0.510) 1.585 26.172 ( 0.040 0.573 1.097) 1.238 26.614 ( -2.891 1.149 -6.992) 7.653 26.763 ( 2.451 -2.853 -5.365) 6.552 27.029 ( 3.450 0.512 0.054) 3.488 27.046 ( 4.000 -0.590 2.569) 4.790 27.182 ( 2.760 -0.060 7.269) 7.776 27.237 ( 5.310 0.958 -1.470) 5.593 27.364 ( -2.291 -2.176 3.433) 4.665 27.437 ( 1.092 -2.162 -0.917) 2.590 27.456 ( -0.984 4.893 -1.169) 5.126 27.579 ( 5.283 7.573 2.212) 9.494 27.809 ( -5.979 -1.486 -4.423) 7.585 27.951 ( 1.943 -1.672 4.659) 5.318 28.083 ( -3.040 4.407 1.396) 5.533 28.169 ( 0.688 3.259 0.396) 3.354 28.253 ( -4.835 2.272 -2.085) 5.734 28.375 ( -0.504 -2.120 -1.388) 2.584 28.435 ( 0.032 -0.915 -3.456) 3.575 28.489 ( 0.797 -6.900 1.030) 7.022 28.759 ( -8.773 -5.892 1.622) 10.691 28.841 ( -7.238 -6.484 1.402) 9.819 29.063 ( -8.758 2.750 3.194) 9.720 29.208 ( -10.256 2.398 2.656) 10.862 29.289 ( -2.182 1.169 -2.999) 3.888 29.372 ( 3.952 1.177 -4.403) 6.032 29.712 ( 1.699 3.885 -1.310) 4.438 29.903 ( -0.107 1.033 -2.620) 2.819 30.116 ( 1.375 -1.473 7.318) 7.591 30.183 ( 3.289 -0.874 -4.506) 5.647 30.427 ( -9.606 -0.001 0.903) 9.648 30.775 ( 2.031 -7.315 1.377) 7.716 30.823 ( 9.290 2.768 -1.329) 9.784 31.115 ( 13.302 -2.936 -6.153) 14.947 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.708 8.129 -20.705) 22.255 1.535 ( 3.347 4.697 0.989) 5.852 1.720 ( 12.498 6.765 -8.907) 16.772 1.744 ( -7.304 11.788 14.689) 20.201 1.880 ( 5.784 -0.417 -11.591) 12.960 2.020 ( -3.441 3.966 -4.853) 7.150 2.125 ( -6.923 -2.887 0.080) 7.502 2.230 ( -6.133 -3.465 6.839) 9.818 2.400 ( -0.572 -7.573 0.786) 7.635 2.573 ( -1.325 -0.523 -2.507) 2.884 2.616 ( -3.729 -2.072 -2.258) 4.827 2.762 ( -2.388 3.097 -3.045) 4.957 2.802 ( 1.110 -1.428 3.555) 3.989 2.835 ( -3.473 -7.203 2.408) 8.352 2.982 ( 7.022 1.773 -4.813) 8.696 3.041 ( 2.689 1.214 1.593) 3.353 3.087 ( 6.062 0.093 -5.492) 8.180 3.131 ( 8.211 4.874 1.023) 9.604 3.193 ( 0.880 1.504 -1.551) 2.333 3.311 ( 4.159 -4.817 0.466) 6.381 3.351 ( 4.192 3.238 -1.499) 5.505 3.420 ( 6.453 -0.299 -0.879) 6.520 3.466 ( 0.109 6.627 3.832) 7.656 3.617 ( 3.542 3.427 -2.646) 5.594 3.701 ( 2.209 -0.996 -1.168) 2.690 3.799 ( -1.065 -1.616 4.086) 4.521 3.841 ( -2.073 2.281 2.640) 4.058 4.016 ( 0.625 4.658 -3.663) 5.958 4.067 ( -1.669 7.878 -2.526) 8.439 4.093 ( 1.584 2.837 2.952) 4.390 4.177 ( -2.034 -2.503 -0.747) 3.311 4.223 ( -0.072 0.843 3.457) 3.559 4.323 ( -3.712 -3.375 -1.737) 5.309 4.422 ( 0.996 -0.092 -1.333) 1.666 4.440 ( 3.077 -0.579 -0.737) 3.217 4.507 ( 1.962 -3.380 -1.001) 4.034 4.522 ( 3.364 0.825 -1.763) 3.886 4.557 ( -4.272 -2.623 -1.167) 5.147 4.645 ( -2.326 -3.522 -1.359) 4.434 4.813 ( 0.512 0.358 -0.947) 1.135 4.919 ( -3.609 -3.728 2.486) 5.754 4.932 ( 0.646 -3.646 0.419) 3.727 4.971 ( -1.845 3.977 3.628) 5.691 5.052 ( -6.315 1.769 0.172) 6.560 5.075 ( 4.169 -0.223 -2.881) 5.072 5.192 ( 0.017 3.379 0.552) 3.424 5.258 ( 0.668 0.878 2.009) 2.292 5.279 ( -1.582 1.293 3.608) 4.146 5.367 ( -2.940 1.937 6.367) 7.276 5.443 ( -0.555 -1.157 -0.796) 1.510 5.495 ( -3.573 -0.778 2.896) 4.665 5.637 ( -1.804 -3.655 1.777) 4.446 5.709 ( -2.867 -2.219 0.648) 3.683 5.752 ( -1.711 -4.171 0.800) 4.579 5.828 ( -1.747 -1.060 -1.740) 2.684 5.901 ( 2.788 -0.898 -2.002) 3.549 5.945 ( -2.368 -1.049 0.355) 2.614 6.019 ( 1.272 -1.282 0.551) 1.888 6.122 ( -1.390 -5.443 -0.087) 5.618 6.258 ( 1.384 -5.252 1.060) 5.533 6.316 ( 0.569 -0.027 3.454) 3.500 6.367 ( 0.920 -0.257 1.896) 2.123 6.448 ( -2.724 1.357 -1.102) 3.237 6.530 ( 0.335 -1.119 -0.307) 1.208 6.699 ( -4.998 2.017 -1.189) 5.520 6.826 ( -4.102 5.546 -2.790) 7.441 7.003 ( -2.274 -3.604 -0.251) 4.269 7.071 ( 0.653 0.425 -2.187) 2.321 7.236 ( 1.168 2.944 -1.183) 3.381 7.245 ( 0.758 2.208 2.747) 3.605 7.334 ( 1.209 0.815 -1.745) 2.274 7.515 ( -0.640 5.522 -4.993) 7.472 7.678 ( 1.040 -3.157 -3.322) 4.699 7.735 ( -1.667 -0.645 0.503) 1.856 7.825 ( 0.307 -4.378 -1.012) 4.504 7.883 ( 0.441 -1.377 -0.573) 1.555 8.233 ( -1.150 -1.438 -0.561) 1.925 8.256 ( -6.815 2.409 -1.982) 7.495 8.341 ( -5.912 3.671 -0.438) 6.973 8.361 ( -3.148 7.729 -0.217) 8.348 8.484 ( -4.652 -0.599 1.241) 4.852 8.667 ( -8.026 -0.459 0.545) 8.057 8.739 ( 2.757 3.385 1.515) 4.621 8.771 ( -0.622 -2.942 3.149) 4.354 8.851 ( 0.055 -1.206 0.253) 1.233 8.951 ( -2.906 6.473 2.015) 7.376 9.031 ( 4.331 -2.339 -1.997) 5.312 9.158 ( 1.454 1.926 3.570) 4.309 9.230 ( 4.165 -1.812 -0.448) 4.564 9.264 ( -2.290 -3.656 5.537) 7.020 9.465 ( 4.277 -1.104 -3.536) 5.659 9.571 ( -0.628 -1.350 0.292) 1.517 9.624 ( 0.249 -3.024 1.135) 3.240 9.700 ( 4.142 -6.507 -4.494) 8.927 9.836 ( -0.118 2.580 4.432) 5.130 9.964 ( 2.327 4.257 -3.988) 6.281 10.064 ( -2.295 3.042 3.749) 5.345 10.084 ( 5.164 -0.811 -2.119) 5.640 10.219 ( -1.985 -2.123 1.412) 3.231 10.368 ( -0.280 -1.239 2.147) 2.494 10.636 ( -0.502 -4.932 -2.531) 5.567 10.704 ( -5.130 -5.291 -1.379) 7.498 10.754 ( -0.243 -0.434 -2.727) 2.772 10.880 ( 0.508 -0.453 2.313) 2.411 10.974 ( 1.416 -2.769 -0.574) 3.162 11.055 ( -0.310 -2.083 1.875) 2.819 11.184 ( 0.883 4.977 3.466) 6.129 11.393 ( 1.482 1.713 3.452) 4.129 11.931 ( 0.562 -0.360 0.820) 1.057 12.027 ( -2.070 -2.690 1.185) 3.595 12.072 ( 0.639 1.831 -0.475) 1.997 12.152 ( -0.963 0.922 -4.276) 4.479 12.244 ( 1.023 -3.836 -5.164) 6.513 12.317 ( -1.658 1.950 -0.613) 2.632 12.395 ( -0.772 3.303 -0.701) 3.464 12.435 ( -2.611 0.452 -3.869) 4.689 12.544 ( 0.585 1.596 -1.959) 2.594 12.587 ( 2.036 -0.968 -5.243) 5.707 12.688 ( -0.156 -3.530 0.039) 3.533 12.767 ( -1.504 -2.896 -0.923) 3.391 12.842 ( -0.637 -3.412 3.570) 4.980 12.981 ( 1.534 1.320 1.491) 2.514 13.043 ( -1.663 -1.945 7.547) 7.969 13.076 ( -5.971 -2.021 0.878) 6.364 13.148 ( -3.472 -1.461 -2.025) 4.277 13.287 ( -0.864 -0.124 1.439) 1.683 13.325 ( 1.051 -0.271 4.871) 4.991 13.483 ( 5.303 3.627 1.418) 6.579 13.527 ( 2.805 -1.761 -2.049) 3.895 13.593 ( 1.390 1.540 0.170) 2.082 13.662 ( 1.902 -0.866 -6.056) 6.406 13.731 ( 3.221 1.999 -3.685) 5.287 13.923 ( -4.658 6.404 -5.779) 9.803 14.155 ( -7.281 5.124 3.560) 9.588 14.257 ( -5.254 3.611 -1.628) 6.580 14.336 ( 1.249 -6.216 -1.440) 6.502 14.518 ( 2.100 6.510 -1.815) 7.077 14.645 ( 6.375 7.703 3.292) 10.527 14.722 ( 1.009 0.817 3.578) 3.806 14.797 ( -3.032 -2.969 -1.491) 4.498 15.006 ( 0.943 -0.023 2.044) 2.251 15.259 ( -0.134 3.516 2.118) 4.107 15.340 ( 1.104 -2.760 0.688) 3.051 15.430 ( 0.710 0.659 1.694) 1.951 15.509 ( -2.759 3.365 -0.435) 4.373 15.600 ( -0.983 6.660 2.242) 7.095 15.728 ( -5.296 -4.944 1.908) 7.492 15.942 ( -0.880 0.452 3.822) 3.948 15.983 ( -3.836 3.279 5.416) 7.403 16.144 ( -2.025 -1.986 -1.158) 3.063 16.278 ( 2.522 0.856 -1.060) 2.867 16.490 ( -1.384 3.852 0.540) 4.128 16.532 ( 6.557 -8.941 -5.263) 12.274 16.721 ( 5.496 -1.282 -0.256) 5.649 16.832 ( 3.685 -2.783 2.030) 5.044 16.908 ( 5.797 -2.908 2.397) 6.914 19.141 ( 0.808 2.039 1.964) 2.944 19.287 ( 3.069 -0.459 2.640) 4.075 19.495 ( 0.244 -3.230 -3.244) 4.585 19.535 ( -3.220 -5.977 3.246) 7.525 20.919 ( 1.255 3.238 -2.170) 4.095 21.016 ( 0.920 3.050 2.855) 4.278 21.129 ( -0.488 -1.489 0.606) 1.680 21.221 ( -3.379 1.085 -0.982) 3.682 25.066 ( -0.026 -0.132 -0.614) 0.628 25.076 ( -1.174 -0.009 1.206) 1.683 25.397 ( 1.277 0.010 -2.466) 2.777 25.591 ( 1.952 -6.445 -1.144) 6.831 25.896 ( 0.015 2.718 2.065) 3.414 25.951 ( 0.050 3.059 1.701) 3.500 26.136 ( -1.362 1.849 -1.534) 2.761 26.177 ( -1.165 0.247 0.710) 1.387 26.546 ( 2.781 2.029 -4.833) 5.934 26.722 ( 1.516 -2.332 -7.208) 7.726 27.030 ( 0.708 1.056 -4.182) 4.372 27.138 ( 3.349 -0.194 1.661) 3.744 27.279 ( 0.321 -5.200 1.212) 5.349 27.347 ( 3.219 -4.185 1.762) 5.566 27.413 ( 0.837 0.059 5.014) 5.084 27.454 ( 2.411 1.606 1.746) 3.382 27.487 ( 8.111 0.871 0.870) 8.204 27.666 ( -3.743 -0.617 -4.111) 5.594 27.732 ( 4.331 14.418 8.319) 17.200 27.979 ( -3.899 1.098 -0.395) 4.070 28.058 ( -2.754 5.464 3.364) 6.982 28.087 ( -3.478 -1.462 -2.871) 4.741 28.216 ( 1.536 1.183 -1.294) 2.331 28.336 ( -2.321 -2.616 -1.697) 3.887 28.415 ( 1.934 2.640 -3.564) 4.839 28.487 ( -1.759 -6.411 0.778) 6.693 28.621 ( -6.267 -3.827 -0.821) 7.389 28.727 ( -8.745 -7.381 4.138) 12.169 28.879 ( -12.375 3.460 0.775) 12.873 29.064 ( -9.469 4.236 5.645) 11.810 29.202 ( -3.746 0.754 -3.155) 4.955 29.438 ( 5.540 -2.712 -1.929) 6.463 29.731 ( 2.718 3.094 -6.032) 7.304 29.854 ( -1.830 2.401 -1.561) 3.399 30.109 ( -1.752 0.007 -3.631) 4.031 30.268 ( 0.719 3.453 7.098) 7.926 30.331 ( -3.729 -7.964 7.200) 11.366 30.824 ( 2.773 -11.570 2.144) 12.089 31.007 ( 12.180 5.438 -5.102) 14.281 31.233 ( 8.745 0.098 -7.853) 11.754 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 24.697 4.592 11.090) 27.459 1.666 ( 6.801 7.483 4.414) 11.033 1.767 ( 1.212 2.143 8.163) 8.527 1.871 ( 9.275 3.225 -0.118) 9.820 1.978 ( 10.265 2.685 -1.786) 10.759 2.064 ( 2.917 3.449 8.405) 9.542 2.097 ( 3.479 1.605 0.660) 3.888 2.197 ( -6.829 2.856 9.667) 12.176 2.394 ( -1.514 -7.504 4.658) 8.961 2.561 ( -0.283 -0.531 2.830) 2.893 2.581 ( 1.015 0.544 -0.603) 1.300 2.723 ( 1.109 -0.029 -0.217) 1.130 2.756 ( -5.332 0.418 -0.056) 5.349 2.884 ( -1.547 -5.611 2.899) 6.503 2.957 ( -2.747 2.894 -2.942) 4.958 3.117 ( 5.191 2.405 0.593) 5.752 3.128 ( 0.936 -7.527 -3.109) 8.197 3.196 ( 1.346 1.695 0.308) 2.186 3.262 ( 0.460 1.826 -1.519) 2.420 3.315 ( 6.325 -2.100 -5.097) 8.390 3.436 ( 2.041 6.442 -3.989) 7.847 3.474 ( 8.518 2.745 1.704) 9.110 3.538 ( 2.956 -0.920 2.862) 4.216 3.671 ( 0.614 1.915 0.146) 2.016 3.762 ( -2.313 -2.895 2.453) 4.444 3.793 ( 5.846 -0.953 2.307) 6.356 3.873 ( 3.903 5.544 -5.951) 9.021 3.984 ( -0.772 4.371 -0.970) 4.543 4.011 ( 1.576 5.148 -7.805) 9.482 4.078 ( -5.653 -0.015 -0.778) 5.707 4.125 ( -0.327 -1.992 -2.523) 3.231 4.178 ( -7.513 3.311 1.675) 8.380 4.248 ( -3.752 -1.535 -0.550) 4.091 4.369 ( -2.852 1.453 -6.661) 7.390 4.430 ( -0.568 -0.416 -4.165) 4.224 4.473 ( -3.407 0.999 -2.123) 4.137 4.493 ( 0.568 5.571 -2.537) 6.148 4.555 ( 1.096 -1.340 -0.593) 1.830 4.608 ( 1.460 -6.767 -3.790) 7.893 4.807 ( -1.329 -3.079 -0.984) 3.495 4.837 ( -6.298 -4.938 1.061) 8.073 4.915 ( -7.406 -1.656 -1.002) 7.655 4.941 ( -1.016 -0.093 2.381) 2.591 5.044 ( 2.833 -0.596 0.579) 2.953 5.123 ( 0.397 4.256 5.368) 6.862 5.138 ( -3.370 0.866 -0.855) 3.583 5.257 ( 2.660 3.485 -4.140) 6.030 5.288 ( -2.460 -2.666 2.121) 4.202 5.374 ( -2.512 0.599 4.011) 4.770 5.454 ( 1.292 1.219 2.723) 3.251 5.495 ( -1.264 1.729 3.863) 4.417 5.608 ( -1.719 -3.816 0.171) 4.188 5.654 ( -2.765 -0.273 -2.440) 3.698 5.721 ( -4.148 0.198 -3.330) 5.323 5.770 ( -1.053 -8.755 1.558) 8.955 5.920 ( 2.012 -3.267 -2.142) 4.394 5.972 ( 3.349 0.184 3.938) 5.172 6.004 ( -2.091 0.557 1.578) 2.678 6.151 ( 2.651 -4.053 0.865) 4.919 6.255 ( -1.146 -5.026 -0.741) 5.207 6.365 ( -1.916 -0.559 0.299) 2.018 6.380 ( 0.388 0.575 3.356) 3.427 6.418 ( -1.553 -1.547 2.520) 3.340 6.477 ( -3.505 -0.247 -3.741) 5.133 6.670 ( -0.251 1.939 2.802) 3.417 6.755 ( -1.340 5.489 -1.671) 5.892 6.991 ( 0.537 -3.361 1.208) 3.612 7.054 ( -0.296 -3.106 -1.823) 3.614 7.235 ( 1.539 5.009 -0.431) 5.258 7.289 ( -1.207 3.202 1.618) 3.785 7.365 ( 2.940 -0.993 -0.595) 3.159 7.446 ( -0.135 4.092 -1.336) 4.307 7.613 ( -1.223 1.411 -8.466) 8.670 7.736 ( -0.125 -4.820 -1.258) 4.983 7.799 ( -2.034 -5.673 -0.460) 6.044 7.870 ( 0.708 -3.796 -2.578) 4.643 8.146 ( -0.835 4.260 -3.657) 5.676 8.196 ( -7.416 4.616 1.654) 8.890 8.243 ( -0.761 2.771 2.340) 3.706 8.347 ( -1.277 6.424 -1.098) 6.642 8.455 ( 0.305 -0.513 0.301) 0.668 8.541 ( -6.881 1.339 1.873) 7.256 8.785 ( -0.195 -4.569 3.319) 5.650 8.814 ( 4.286 2.455 0.634) 4.980 8.876 ( 1.475 -2.075 0.289) 2.562 8.919 ( -4.541 4.011 3.790) 7.147 9.103 ( 4.529 -2.431 0.083) 5.141 9.187 ( -1.749 1.406 0.468) 2.293 9.256 ( 0.308 -1.050 2.732) 2.944 9.335 ( 2.179 -1.586 4.094) 4.902 9.449 ( -2.552 1.041 0.005) 2.756 9.577 ( 0.335 0.598 -2.470) 2.563 9.641 ( 2.910 -5.273 0.244) 6.027 9.720 ( 2.031 -4.866 -2.561) 5.862 9.908 ( 1.155 3.235 5.714) 6.667 9.950 ( -0.413 3.378 -0.117) 3.405 10.057 ( 0.253 7.791 0.281) 7.800 10.159 ( 5.361 -2.943 -4.071) 7.347 10.251 ( 1.562 -3.185 4.352) 5.615 10.394 ( 0.155 -2.185 2.277) 3.159 10.600 ( -3.710 -4.828 -0.282) 6.095 10.617 ( -0.403 -5.647 -1.074) 5.762 10.760 ( 3.076 1.287 0.396) 3.358 10.937 ( 2.084 -2.192 3.921) 4.952 11.019 ( 3.880 -1.865 0.411) 4.324 11.091 ( -1.261 -4.066 4.768) 6.392 11.201 ( -0.766 4.903 -0.536) 4.991 11.378 ( -5.124 2.921 -0.617) 5.931 11.926 ( -1.802 -0.806 -0.227) 1.987 12.006 ( -0.402 -1.660 -2.106) 2.712 12.034 ( -1.087 1.508 -2.491) 3.108 12.128 ( 1.754 -0.172 -2.387) 2.968 12.182 ( -0.812 -1.640 -5.920) 6.197 12.287 ( -0.287 -0.778 -4.182) 4.264 12.358 ( 0.493 -3.674 -2.796) 4.643 12.402 ( 0.974 4.906 -2.335) 5.520 12.468 ( -2.818 1.163 -5.343) 6.151 12.518 ( -4.979 0.643 -2.034) 5.417 12.699 ( 1.239 -5.830 0.335) 5.969 12.763 ( -0.033 -3.740 -0.265) 3.750 12.874 ( 0.864 -4.084 2.396) 4.813 12.942 ( -4.503 -0.341 -1.018) 4.629 13.046 ( -0.468 -2.032 4.290) 4.770 13.086 ( 0.402 -0.629 2.899) 2.994 13.107 ( -1.586 2.952 2.029) 3.917 13.245 ( -5.388 4.100 2.248) 7.134 13.399 ( 1.706 -4.610 0.165) 4.918 13.562 ( 4.388 0.398 1.040) 4.527 13.589 ( -1.051 -1.745 0.810) 2.193 13.640 ( 4.813 -1.132 -1.850) 5.279 13.681 ( 8.041 2.477 -0.505) 8.429 13.807 ( 6.510 -0.045 -2.273) 6.896 13.845 ( 1.485 3.992 -0.497) 4.288 14.071 ( -6.931 4.408 4.267) 9.256 14.132 ( -7.560 8.016 0.262) 11.022 14.285 ( -2.662 -4.806 -3.643) 6.592 14.504 ( 0.830 6.749 -5.507) 8.750 14.631 ( -7.299 -0.668 -3.365) 8.065 14.783 ( 3.699 4.217 5.459) 7.827 14.859 ( 5.721 0.769 0.089) 5.773 15.065 ( 2.092 -0.382 3.985) 4.517 15.292 ( 1.433 3.620 2.343) 4.544 15.347 ( 0.092 -3.717 -1.665) 4.074 15.436 ( -1.768 -1.400 0.702) 2.362 15.463 ( -1.228 2.724 -0.472) 3.025 15.531 ( -7.007 -0.387 -0.895) 7.074 15.708 ( 1.317 5.604 0.743) 5.804 15.878 ( -6.357 6.813 1.149) 9.388 16.056 ( 2.139 -1.616 5.791) 6.382 16.141 ( -0.605 -0.891 4.859) 4.977 16.297 ( 1.725 1.276 -2.454) 3.260 16.417 ( -2.555 4.248 -4.153) 6.467 16.612 ( 5.055 -7.611 -1.050) 9.197 16.789 ( 2.200 -3.698 -0.717) 4.362 16.910 ( 2.753 -2.939 2.301) 4.638 17.000 ( 3.095 -3.645 0.340) 4.794 19.174 ( 0.912 0.974 1.681) 2.146 19.297 ( -1.882 -0.829 -1.110) 2.337 19.492 ( -2.586 -5.401 2.884) 6.646 19.513 ( 0.538 -4.802 -0.134) 4.834 20.937 ( 3.012 4.369 -0.763) 5.361 21.050 ( -1.224 2.583 2.859) 4.042 21.152 ( -0.067 0.717 1.349) 1.529 21.166 ( -0.480 1.509 0.006) 1.584 25.054 ( -1.024 -0.226 0.068) 1.051 25.065 ( -0.230 -0.252 -0.869) 0.934 25.398 ( 1.667 1.052 -2.128) 2.901 25.555 ( -1.424 -3.204 -5.545) 6.561 25.928 ( 0.402 2.139 3.507) 4.127 25.976 ( 0.637 1.620 2.847) 3.337 26.097 ( -0.784 1.699 -2.382) 3.029 26.144 ( -2.042 0.183 -1.055) 2.306 26.583 ( 3.451 0.667 -0.931) 3.636 26.685 ( 1.692 -1.334 -5.675) 6.071 27.012 ( 2.708 -0.378 -4.072) 4.905 27.155 ( -2.470 -3.207 -1.118) 4.199 27.298 ( 2.674 -3.721 -0.420) 4.602 27.356 ( -0.884 -2.024 0.519) 2.269 27.451 ( -0.413 0.663 2.631) 2.745 27.504 ( -1.062 -0.828 2.426) 2.775 27.576 ( -1.207 5.402 0.043) 5.535 27.704 ( 9.439 1.980 -1.236) 9.723 27.754 ( -2.790 6.133 -2.372) 7.143 27.953 ( -3.870 -0.039 1.261) 4.071 28.043 ( -0.305 3.378 4.518) 5.649 28.110 ( 4.287 1.447 6.694) 8.079 28.233 ( 1.954 0.697 -1.212) 2.402 28.290 ( -0.329 -1.654 -0.979) 1.950 28.392 ( -0.759 -0.378 -2.426) 2.570 28.475 ( -0.037 0.358 -0.376) 0.520 28.546 ( -2.175 -0.537 -2.507) 3.362 28.658 ( -5.760 -5.025 6.604) 10.101 28.711 ( -7.738 1.015 3.177) 8.426 29.001 ( -4.845 -0.316 4.464) 6.595 29.109 ( -3.343 2.669 -1.098) 4.416 29.474 ( 3.371 -1.919 -8.582) 9.418 29.714 ( 0.921 1.983 -0.202) 2.195 29.820 ( -0.791 3.400 -1.088) 3.656 30.071 ( 1.848 0.927 -2.476) 3.226 30.218 ( -9.069 -2.242 6.194) 11.209 30.487 ( 3.826 -6.335 12.276) 14.334 30.866 ( 0.262 -11.326 -0.314) 11.333 31.119 ( 7.424 5.478 -6.271) 11.155 31.263 ( 5.320 1.326 -9.645) 11.095 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.287 10.179 3.886) 10.899 1.810 ( -2.645 4.227 1.625) 5.244 1.956 ( 10.222 -0.471 10.659) 14.776 2.037 ( -0.085 -0.339 2.551) 2.575 2.057 ( 8.236 -0.646 3.733) 9.066 2.157 ( -1.441 1.500 -4.519) 4.975 2.226 ( 12.469 1.585 9.133) 15.537 2.321 ( 6.567 2.636 6.552) 9.644 2.490 ( -1.536 1.530 -3.496) 4.114 2.536 ( 5.434 -0.518 8.515) 10.114 2.607 ( -7.102 0.026 -6.615) 9.705 2.668 ( 1.502 1.059 5.147) 5.465 2.721 ( -0.208 1.740 -2.947) 3.429 2.825 ( -2.234 -3.187 -5.241) 6.528 2.901 ( 0.389 0.340 1.495) 1.582 3.019 ( -3.283 -5.328 -8.866) 10.852 3.184 ( -3.465 -3.792 3.848) 6.418 3.215 ( -1.369 -0.078 0.615) 1.503 3.279 ( -7.422 0.060 5.506) 9.242 3.345 ( -0.514 7.578 5.595) 9.434 3.427 ( 5.233 -2.950 -0.614) 6.038 3.543 ( -2.908 1.010 3.412) 4.596 3.594 ( -5.732 5.583 -6.534) 10.331 3.687 ( 0.069 0.822 -4.287) 4.366 3.751 ( 5.366 1.731 7.048) 9.026 3.866 ( 0.839 -1.570 -0.789) 1.948 3.914 ( 2.230 0.321 -4.253) 4.813 3.937 ( -3.814 7.454 6.509) 10.606 3.975 ( 1.958 2.296 -5.932) 6.655 4.012 ( -1.362 0.319 -1.822) 2.297 4.058 ( -0.253 2.400 1.513) 2.848 4.107 ( 0.576 -0.345 -1.908) 2.023 4.163 ( -4.778 0.037 -11.321) 12.288 4.224 ( 4.612 -0.099 -8.641) 9.795 4.396 ( -3.264 0.221 2.371) 4.041 4.433 ( 0.780 -2.030 -0.123) 2.178 4.499 ( 1.667 3.388 -3.147) 4.916 4.523 ( -1.139 2.833 -1.876) 3.583 4.657 ( 3.022 -2.253 2.630) 4.596 4.735 ( -8.610 -4.011 -2.239) 9.759 4.768 ( -1.256 -5.251 0.781) 5.456 4.802 ( 4.257 -2.993 -2.285) 5.683 4.984 ( 0.191 -1.224 5.532) 5.669 5.049 ( -3.871 4.006 -1.857) 5.872 5.096 ( 3.308 0.893 0.705) 3.498 5.148 ( 0.508 -0.557 -3.803) 3.877 5.276 ( 2.823 0.716 1.980) 3.521 5.310 ( 0.273 -0.465 -1.732) 1.814 5.414 ( 3.484 2.261 6.559) 7.763 5.491 ( -3.159 1.362 3.216) 4.709 5.504 ( 0.703 1.197 -0.475) 1.467 5.563 ( -2.194 0.841 -4.711) 5.265 5.587 ( -1.034 -2.953 0.937) 3.266 5.621 ( -1.266 -1.725 -2.646) 3.403 5.815 ( 2.255 -7.721 3.461) 8.757 5.895 ( -0.722 -8.099 -4.824) 9.454 6.043 ( 2.875 0.494 5.840) 6.528 6.105 ( 0.709 -1.363 3.928) 4.218 6.165 ( 2.577 -1.568 0.140) 3.019 6.253 ( -3.904 -0.481 -2.921) 4.899 6.283 ( -0.355 -0.393 0.018) 0.530 6.324 ( -3.959 -0.951 -3.728) 5.520 6.431 ( -0.100 -0.533 3.595) 3.636 6.459 ( 0.454 0.136 0.838) 0.963 6.703 ( 0.062 1.271 3.468) 3.694 6.740 ( 0.376 3.254 -0.355) 3.294 7.014 ( -2.419 -3.145 -0.546) 4.005 7.040 ( 4.420 -1.720 -2.109) 5.191 7.263 ( -2.458 1.824 0.329) 3.078 7.272 ( 2.626 2.722 -0.394) 3.803 7.378 ( 0.099 2.686 2.609) 3.746 7.474 ( -2.028 2.241 -2.068) 3.663 7.557 ( 5.664 -0.295 -1.476) 5.861 7.643 ( -4.233 -1.760 -6.573) 8.014 7.798 ( -1.017 -7.516 2.570) 8.008 7.858 ( 1.794 -4.853 -3.412) 6.198 8.095 ( -5.543 6.132 1.996) 8.504 8.165 ( 7.009 5.442 -4.966) 10.168 8.266 ( -0.498 3.913 3.264) 5.119 8.322 ( 0.919 3.102 -2.259) 3.945 8.467 ( -2.487 0.958 2.186) 3.447 8.494 ( 2.185 1.259 0.237) 2.533 8.829 ( -0.127 -5.090 4.092) 6.532 8.854 ( -5.717 -0.947 2.235) 6.211 8.884 ( 2.484 1.940 -0.925) 3.285 8.910 ( 3.900 1.645 -1.394) 4.456 9.123 ( -4.291 1.550 2.491) 5.198 9.184 ( 3.930 -2.646 -2.721) 5.463 9.287 ( -2.060 -2.552 5.232) 6.175 9.366 ( 0.799 -0.676 -3.106) 3.278 9.443 ( -1.611 4.709 6.844) 8.462 9.540 ( -1.299 -0.130 -1.793) 2.218 9.687 ( 0.718 -1.327 -0.691) 1.660 9.714 ( 1.516 -4.177 -3.199) 5.475 9.950 ( -0.792 4.606 2.775) 5.436 9.970 ( 1.323 0.628 2.167) 2.616 10.089 ( 1.269 3.987 0.843) 4.269 10.162 ( 0.864 -1.447 -5.152) 5.421 10.327 ( 0.504 -3.287 5.279) 6.239 10.394 ( -0.756 -2.032 -0.873) 2.337 10.564 ( -1.311 -4.456 1.562) 4.901 10.613 ( 1.861 -5.140 -3.008) 6.240 10.892 ( 6.453 -0.046 7.070) 9.573 10.979 ( -3.483 -6.916 1.527) 7.892 11.064 ( -1.619 -1.923 1.747) 3.061 11.103 ( 1.905 2.771 -3.083) 4.562 11.178 ( 1.392 1.826 1.999) 3.044 11.243 ( -5.895 3.376 -3.357) 7.577 11.901 ( -0.307 -1.160 0.687) 1.383 11.956 ( 0.363 0.324 -4.454) 4.480 12.045 ( 0.573 -2.312 1.734) 2.946 12.086 ( -2.112 0.502 -2.694) 3.460 12.179 ( 2.735 -3.607 -0.785) 4.594 12.220 ( -2.154 -4.455 -4.963) 7.009 12.347 ( -1.527 0.522 -0.842) 1.820 12.366 ( -1.292 3.719 -3.114) 5.019 12.420 ( 1.624 3.848 -0.763) 4.245 12.438 ( -0.162 4.094 -1.916) 4.523 12.715 ( -3.011 -5.873 2.352) 7.006 12.749 ( 1.848 -6.831 -1.499) 7.233 12.871 ( -3.736 -1.172 2.347) 4.565 12.928 ( 4.431 -1.882 -2.904) 5.622 13.065 ( -3.304 -1.874 4.761) 6.091 13.118 ( -0.855 4.413 2.906) 5.353 13.129 ( 3.637 -2.564 -0.034) 4.450 13.194 ( -0.068 6.167 -0.795) 6.218 13.407 ( -2.872 -5.426 4.788) 7.785 13.549 ( -0.427 -4.428 -3.428) 5.616 13.632 ( 0.292 0.001 -1.219) 1.254 13.647 ( 3.267 -0.818 -3.989) 5.221 13.807 ( -1.225 1.690 2.448) 3.217 13.867 ( 0.869 1.281 -2.663) 3.080 13.937 ( 5.903 2.975 4.816) 8.179 13.997 ( -5.869 2.631 0.409) 6.445 14.100 ( 3.910 3.389 6.401) 8.231 14.213 ( 0.109 0.110 -5.113) 5.115 14.454 ( -0.513 4.516 -3.036) 5.466 14.484 ( -2.084 5.265 -5.829) 8.126 14.865 ( -0.815 0.617 4.065) 4.192 14.919 ( 2.374 1.080 -1.908) 3.231 15.150 ( 0.363 -2.774 6.537) 7.111 15.285 ( -0.680 -3.413 -6.426) 7.308 15.353 ( 1.173 4.258 3.443) 5.600 15.396 ( -1.692 0.954 0.232) 1.956 15.435 ( -1.152 2.406 0.465) 2.708 15.473 ( 1.725 -0.607 -2.516) 3.110 15.739 ( -1.761 8.204 2.837) 8.858 15.801 ( 0.518 7.415 -2.140) 7.735 16.139 ( 0.892 -2.554 5.437) 6.072 16.182 ( -0.707 -3.175 3.742) 4.958 16.281 ( -1.917 3.419 -0.115) 3.921 16.356 ( 0.725 2.783 -4.467) 5.312 16.670 ( -1.334 -5.837 4.001) 7.201 16.778 ( 2.051 -1.341 -5.865) 6.356 16.970 ( 0.952 -4.843 2.799) 5.674 17.015 ( -0.591 -4.368 -1.654) 4.708 19.206 ( 0.205 -0.484 2.195) 2.257 19.250 ( -0.383 0.549 -2.409) 2.500 19.471 ( -2.835 -5.702 3.882) 7.457 19.533 ( 2.500 -5.643 -1.998) 6.487 20.992 ( -0.114 4.687 1.751) 5.005 21.024 ( 0.643 5.711 -1.273) 5.886 21.162 ( -0.300 -0.075 2.269) 2.290 21.182 ( 0.119 0.362 0.173) 0.419 25.041 ( -0.559 -0.282 0.289) 0.690 25.050 ( -0.470 -0.361 -0.640) 0.872 25.414 ( 1.244 0.818 0.263) 1.512 25.464 ( -2.534 -0.153 -4.736) 5.373 25.975 ( 0.545 2.020 4.143) 4.641 26.023 ( 0.960 0.788 2.460) 2.755 26.062 ( -0.112 1.127 -2.086) 2.374 26.095 ( -1.513 0.136 -2.317) 2.771 26.623 ( 1.893 -0.250 -0.475) 1.967 26.659 ( 0.869 -0.843 -4.421) 4.584 27.049 ( 3.199 -2.737 -1.159) 4.366 27.062 ( -3.793 -3.015 -2.578) 5.488 27.332 ( -2.842 -2.415 0.895) 3.835 27.342 ( 1.986 -2.619 -0.017) 3.287 27.468 ( -0.637 1.685 2.730) 3.271 27.485 ( -1.672 0.479 1.103) 2.060 27.575 ( -2.151 8.026 2.525) 8.684 27.657 ( 0.660 5.256 -4.124) 6.713 27.838 ( -7.689 -1.426 0.585) 7.842 27.873 ( 7.465 -1.836 -1.171) 7.776 28.101 ( 0.482 2.780 5.731) 6.388 28.193 ( 0.426 2.778 -3.001) 4.111 28.279 ( 0.901 -1.377 3.415) 3.790 28.322 ( 1.349 -0.209 1.571) 2.081 28.383 ( 0.388 -0.252 0.830) 0.950 28.459 ( 0.554 1.608 -3.401) 3.802 28.527 ( -7.829 0.389 2.346) 8.182 28.557 ( 5.710 2.019 -1.321) 6.199 28.761 ( 1.550 -4.589 8.056) 9.400 28.927 ( -1.398 -6.104 -7.030) 9.414 29.132 ( -0.118 5.997 10.466) 12.063 29.392 ( 1.936 2.144 -14.327) 14.615 29.752 ( 0.312 2.520 3.518) 4.338 29.799 ( -0.492 3.546 -1.366) 3.832 30.107 ( -7.718 -3.246 3.865) 9.222 30.152 ( 7.801 -2.236 -0.857) 8.160 30.649 ( -0.446 -7.270 12.944) 14.853 30.820 ( -3.469 -10.391 -2.722) 11.288 31.127 ( -1.440 6.105 -2.555) 6.773 31.249 ( 6.278 0.905 -11.692) 13.302 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -18.255 9.176 9.153) 22.388 1.724 ( -26.027 4.952 -14.777) 30.336 1.826 ( -1.797 3.965 -7.696) 8.842 1.981 ( -3.298 -3.773 -6.633) 8.313 2.096 ( -8.334 -4.177 -7.527) 11.982 2.122 ( 5.454 -0.268 -4.784) 7.260 2.291 ( 3.681 6.878 -9.923) 12.622 2.361 ( 0.011 -1.644 -4.516) 4.806 2.529 ( -3.175 -4.741 -2.300) 6.152 2.560 ( 3.717 0.523 -2.634) 4.586 2.663 ( -2.826 0.950 -3.886) 4.898 2.692 ( 6.684 4.185 0.151) 7.887 2.753 ( 7.820 0.267 2.833) 8.322 2.839 ( 3.963 -0.173 4.891) 6.298 2.911 ( -6.384 -1.771 3.129) 7.327 2.991 ( 0.198 2.089 5.850) 6.214 3.057 ( -12.594 -0.145 5.145) 13.605 3.100 ( -10.089 -2.881 2.790) 10.857 3.188 ( -6.799 3.146 3.138) 8.122 3.344 ( -8.517 6.239 -4.749) 11.576 3.373 ( -6.907 -0.270 5.221) 8.663 3.468 ( -0.479 1.601 2.544) 3.044 3.565 ( 0.830 4.394 4.332) 6.226 3.694 ( -0.255 4.933 1.018) 5.043 3.797 ( -2.371 1.824 -3.714) 4.769 3.850 ( -3.692 -0.390 -3.969) 5.435 3.868 ( 1.688 -0.226 -2.827) 3.300 3.914 ( 3.695 -1.271 -0.481) 3.937 4.006 ( 0.157 -4.484 5.389) 7.012 4.021 ( -0.797 -0.356 -3.393) 3.503 4.073 ( 3.960 2.833 -2.112) 5.307 4.157 ( 7.256 2.361 9.209) 11.959 4.184 ( 4.682 2.932 3.217) 6.392 4.317 ( 10.851 -1.436 -4.558) 11.856 4.370 ( -2.823 -3.749 2.370) 5.257 4.433 ( 0.806 1.505 -0.810) 1.889 4.474 ( -0.016 -0.450 -1.062) 1.154 4.528 ( 0.139 -2.019 2.766) 3.427 4.606 ( -1.331 0.017 -3.095) 3.369 4.746 ( 2.591 5.003 4.476) 7.196 4.840 ( 5.938 -5.901 1.530) 8.510 4.909 ( 6.143 -3.351 -0.030) 6.998 4.972 ( -2.295 1.135 -2.257) 3.413 5.019 ( -1.309 -3.443 4.165) 5.560 5.140 ( 3.541 2.218 -3.939) 5.742 5.180 ( 4.515 2.992 1.282) 5.566 5.299 ( 2.200 1.162 -2.696) 3.669 5.331 ( 1.640 -3.805 -4.095) 5.826 5.436 ( -0.187 2.130 -3.053) 3.727 5.477 ( 0.366 0.094 0.353) 0.517 5.544 ( 1.170 1.924 2.406) 3.295 5.560 ( 3.684 2.427 5.944) 7.402 5.592 ( 1.371 -0.312 -0.951) 1.698 5.666 ( 4.720 -3.168 2.124) 6.068 5.832 ( 0.168 -9.303 -4.807) 10.473 5.880 ( 0.877 -5.589 1.715) 5.911 6.045 ( -6.396 -1.051 -2.975) 7.132 6.079 ( -1.918 1.257 -5.905) 6.335 6.136 ( -0.121 -1.671 2.754) 3.224 6.228 ( -0.511 -3.111 2.067) 3.770 6.316 ( 3.903 0.033 4.979) 6.326 6.361 ( 2.296 0.514 2.905) 3.738 6.441 ( -1.475 0.778 1.289) 2.107 6.467 ( 0.993 -0.969 -1.537) 2.071 6.731 ( 1.181 2.014 -0.487) 2.385 6.742 ( 0.085 2.049 -0.859) 2.223 6.970 ( -1.789 -1.475 1.321) 2.669 7.087 ( 3.802 -4.487 -4.627) 7.483 7.207 ( -3.255 2.723 -0.109) 4.245 7.308 ( 1.305 1.732 -0.107) 2.171 7.417 ( 0.968 4.579 -4.962) 6.821 7.432 ( -1.911 2.852 6.546) 7.392 7.520 ( -0.416 0.144 -4.616) 4.637 7.662 ( 3.036 -3.167 3.478) 5.599 7.800 ( -0.576 -2.581 1.963) 3.293 7.845 ( -0.861 -6.652 -2.136) 7.040 8.094 ( 3.869 3.619 1.920) 5.635 8.250 ( 7.335 5.179 -3.423) 9.609 8.274 ( -0.911 1.908 0.206) 2.125 8.341 ( 3.060 3.726 -1.029) 4.930 8.463 ( 1.371 1.890 -0.476) 2.383 8.564 ( 4.703 2.021 0.390) 5.134 8.777 ( -3.480 -1.736 0.450) 3.915 8.843 ( -2.164 -3.270 3.127) 5.015 8.889 ( 1.829 -1.317 -3.242) 3.948 8.983 ( 4.785 4.693 -2.002) 6.995 9.067 ( -5.274 0.957 2.538) 5.931 9.199 ( -2.471 -0.330 2.192) 3.320 9.282 ( 0.349 -4.403 -2.626) 5.139 9.353 ( -0.693 0.465 1.170) 1.437 9.473 ( -2.298 -0.002 2.516) 3.407 9.521 ( 0.188 2.871 1.144) 3.097 9.652 ( -1.375 -3.712 -1.249) 4.151 9.718 ( 0.883 -4.428 -2.501) 5.162 9.942 ( -1.530 5.036 -0.358) 5.276 10.022 ( 1.210 -2.023 1.931) 3.047 10.048 ( -4.060 -1.513 -3.178) 5.373 10.136 ( 1.519 5.279 -3.140) 6.328 10.314 ( -3.468 -3.581 -0.886) 5.063 10.400 ( 0.278 -1.894 1.204) 2.261 10.572 ( -0.601 -3.770 2.558) 4.595 10.629 ( 3.559 -4.182 -2.586) 6.070 10.823 ( -6.484 -2.630 -4.124) 8.122 10.998 ( -5.943 0.042 -0.691) 5.983 11.033 ( -2.586 -0.611 -3.371) 4.292 11.129 ( 7.209 -3.487 5.463) 9.694 11.171 ( -0.767 1.512 -1.031) 1.985 11.318 ( 6.611 1.730 5.488) 8.765 11.912 ( 0.708 -0.472 1.007) 1.318 11.969 ( 3.901 -0.233 -0.756) 3.980 12.004 ( -3.938 -2.265 0.692) 4.596 12.096 ( -1.232 1.971 2.847) 3.675 12.123 ( -1.285 0.444 -2.424) 2.779 12.227 ( 2.021 -3.565 1.318) 4.304 12.302 ( -2.171 -1.854 1.792) 3.370 12.364 ( 0.453 5.746 0.670) 5.802 12.433 ( 2.617 3.038 -0.980) 4.128 12.495 ( 4.346 3.301 0.827) 5.520 12.674 ( -2.375 -6.474 1.573) 7.073 12.778 ( 1.173 -6.662 -1.310) 6.891 12.854 ( -0.234 -0.524 3.683) 3.727 12.963 ( 2.312 -1.083 -2.609) 3.650 13.055 ( -0.634 -2.614 1.390) 3.028 13.119 ( -0.380 5.523 0.874) 5.604 13.177 ( 1.564 -0.934 -2.028) 2.726 13.247 ( 6.230 2.674 -0.072) 6.780 13.391 ( -5.683 -5.435 4.897) 9.264 13.517 ( -2.342 -2.532 1.185) 3.647 13.595 ( -1.943 -0.209 -1.722) 2.605 13.649 ( -1.145 0.213 -3.452) 3.643 13.695 ( -6.193 0.662 -0.076) 6.229 13.818 ( -6.047 -0.845 -2.350) 6.542 13.856 ( -4.377 2.281 -1.310) 5.107 14.144 ( 5.183 -0.574 -2.747) 5.894 14.160 ( 8.834 3.571 1.227) 9.607 14.262 ( 4.782 5.512 -3.156) 7.950 14.436 ( 1.227 4.999 0.787) 5.207 14.537 ( 7.488 1.452 4.759) 8.990 14.830 ( -5.728 2.565 0.508) 6.296 14.898 ( -1.722 1.644 -3.518) 4.248 15.122 ( -3.828 -1.651 -0.779) 4.241 15.308 ( 3.253 -2.729 0.593) 4.288 15.329 ( -2.130 4.158 -0.798) 4.740 15.441 ( 0.042 1.804 1.334) 2.244 15.484 ( 2.935 0.388 -2.277) 3.735 15.494 ( 8.621 -2.217 2.249) 9.181 15.700 ( -3.358 9.572 1.580) 10.267 15.868 ( 5.996 5.472 0.405) 8.128 16.154 ( -2.426 -1.327 -3.362) 4.353 16.187 ( -0.645 -2.762 2.814) 3.995 16.272 ( -1.811 0.050 3.580) 4.013 16.338 ( 1.368 1.443 -1.775) 2.665 16.610 ( -6.302 -0.231 0.583) 6.333 16.801 ( 3.225 -4.543 -1.378) 5.739 16.950 ( -4.257 -3.510 -2.328) 5.989 16.984 ( -2.171 -4.603 1.825) 5.406 19.197 ( -1.222 0.421 -0.249) 1.317 19.274 ( 3.222 -0.658 0.510) 3.328 19.473 ( -1.642 -6.127 3.259) 7.131 19.563 ( 3.872 -5.898 -2.867) 7.616 20.935 ( -3.889 5.616 -0.332) 6.839 21.088 ( 4.293 4.799 -0.713) 6.479 21.161 ( -1.941 1.531 0.946) 2.647 21.166 ( -1.233 -0.952 -0.527) 1.644 25.041 ( -0.390 -0.559 1.510) 1.657 25.046 ( 0.145 -0.505 0.665) 0.847 25.383 ( -2.915 1.471 -1.241) 3.493 25.449 ( 0.191 -0.274 3.728) 3.743 26.006 ( -0.299 1.581 -3.724) 4.057 26.025 ( 0.681 2.224 1.938) 3.028 26.049 ( -0.884 0.441 -1.498) 1.794 26.099 ( 1.764 -0.179 3.470) 3.897 26.619 ( -0.218 -1.164 -4.095) 4.263 26.635 ( -0.377 -0.926 -0.836) 1.303 26.962 ( -3.821 0.084 0.442) 3.847 27.131 ( 3.919 -4.012 0.986) 5.694 27.278 ( -4.261 -2.487 1.300) 5.102 27.361 ( -0.129 -2.165 0.295) 2.189 27.461 ( -1.158 1.562 0.984) 2.179 27.499 ( -1.384 3.316 3.597) 5.084 27.563 ( -1.476 2.220 3.351) 4.283 27.669 ( 1.938 7.096 -2.155) 7.665 27.720 ( -5.113 -0.450 1.405) 5.322 27.975 ( 5.360 -2.285 -0.616) 5.859 28.135 ( -1.120 2.808 -2.475) 3.907 28.169 ( 0.626 1.476 1.331) 2.084 28.279 ( -6.111 2.855 -4.108) 7.897 28.294 ( 0.251 -2.090 -1.361) 2.507 28.359 ( -2.834 1.915 -0.057) 3.421 28.434 ( 0.649 -0.261 2.682) 2.772 28.503 ( 3.564 1.587 0.893) 4.002 28.719 ( 9.619 -0.761 -0.751) 9.679 28.814 ( 0.097 -7.493 -2.332) 7.849 28.934 ( 6.835 -4.077 2.564) 8.361 29.259 ( 1.310 4.110 9.797) 10.704 29.297 ( 4.216 5.849 -12.666) 14.575 29.760 ( -1.931 1.286 -1.762) 2.913 29.787 ( 0.081 3.520 1.823) 3.965 30.020 ( -4.371 0.499 2.399) 5.011 30.317 ( 11.261 -5.247 -2.821) 12.739 30.648 ( -9.558 -9.551 0.558) 13.524 30.773 ( -1.600 -9.289 5.603) 10.965 31.040 ( -6.908 6.629 1.024) 9.629 31.238 ( 3.974 0.623 -9.029) 9.884 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -26.866 8.734 -8.100) 29.388 1.394 ( -21.390 10.224 15.375) 28.257 1.715 ( -3.946 -4.438 -7.679) 9.707 1.754 ( -2.521 0.036 -6.448) 6.923 2.028 ( 2.186 -1.488 -5.995) 6.553 2.110 ( 3.871 4.799 -11.383) 12.946 2.215 ( 3.867 3.175 -9.732) 10.943 2.328 ( -5.882 -5.146 4.456) 8.997 2.403 ( -3.659 -1.775 -0.220) 4.073 2.584 ( -6.681 0.578 2.675) 7.220 2.590 ( -15.194 8.827 4.106) 18.045 2.621 ( 2.173 -5.096 -3.788) 6.712 2.819 ( -0.302 1.826 2.144) 2.832 2.858 ( 0.098 2.850 -1.754) 3.348 2.874 ( -0.622 -2.166 -0.481) 2.305 2.973 ( 0.428 3.548 5.146) 6.265 3.047 ( -1.522 0.165 1.038) 1.849 3.095 ( -0.271 -2.447 3.959) 4.662 3.118 ( -4.315 2.835 5.221) 7.343 3.257 ( 0.182 7.603 1.278) 7.712 3.309 ( -4.826 -5.725 2.228) 7.813 3.464 ( -3.639 4.879 1.118) 6.188 3.560 ( -4.565 2.912 2.471) 5.952 3.659 ( 0.032 -1.706 -9.434) 9.587 3.732 ( 0.119 5.917 -2.005) 6.248 3.760 ( -4.044 2.910 1.472) 5.195 3.891 ( 2.203 1.042 0.880) 2.591 3.982 ( 1.940 0.171 2.012) 2.801 4.027 ( 3.290 0.026 -0.237) 3.299 4.100 ( 1.734 -5.617 5.712) 8.197 4.166 ( 6.117 -1.964 0.505) 6.444 4.223 ( 1.196 0.774 -1.028) 1.756 4.318 ( 0.003 -2.567 4.310) 5.016 4.334 ( -0.569 -0.973 0.417) 1.202 4.421 ( -0.956 3.770 -0.432) 3.913 4.452 ( 1.649 -6.117 1.881) 6.608 4.504 ( 3.423 -2.866 1.529) 4.719 4.568 ( 3.380 4.132 -1.469) 5.537 4.632 ( 4.321 -0.280 0.004) 4.330 4.806 ( -0.721 5.071 1.221) 5.266 4.917 ( 2.743 -2.977 0.426) 4.070 4.935 ( -1.633 -3.690 0.453) 4.060 4.986 ( 2.537 0.263 3.189) 4.083 5.034 ( -2.048 -1.833 2.365) 3.625 5.160 ( 4.130 2.225 -8.741) 9.921 5.222 ( 0.754 -0.866 -6.395) 6.497 5.266 ( 4.457 2.625 -0.186) 5.176 5.378 ( 4.672 -0.250 -1.797) 5.012 5.445 ( 1.060 0.713 0.234) 1.299 5.502 ( 2.551 1.707 -5.725) 6.496 5.572 ( 2.614 2.441 -4.384) 5.658 5.640 ( 2.951 -2.426 2.246) 4.431 5.661 ( 2.646 -0.705 3.451) 4.406 5.752 ( 1.896 -0.082 1.822) 2.631 5.827 ( 2.750 -9.154 -3.102) 10.049 5.874 ( -0.498 -2.057 0.476) 2.169 5.939 ( -0.875 -1.249 1.413) 2.079 6.066 ( 0.532 -0.275 -3.356) 3.409 6.113 ( -1.235 -4.418 1.024) 4.700 6.258 ( -0.298 -4.135 1.267) 4.335 6.363 ( -2.693 -1.124 -0.836) 3.036 6.398 ( 2.041 2.204 0.524) 3.049 6.419 ( -2.202 1.782 1.156) 3.059 6.509 ( 2.707 -0.715 2.182) 3.550 6.704 ( -0.136 3.492 -2.697) 4.415 6.770 ( 3.057 2.407 1.122) 4.049 6.995 ( 0.872 -2.355 4.029) 4.747 7.046 ( -2.371 -4.708 -4.657) 7.034 7.193 ( 0.492 4.240 2.458) 4.926 7.304 ( -1.603 1.959 -1.460) 2.922 7.341 ( -1.413 1.856 -3.230) 3.985 7.477 ( 3.397 6.626 -0.147) 7.448 7.569 ( 1.947 0.440 4.880) 5.273 7.706 ( -1.430 -3.327 3.205) 4.836 7.815 ( 0.345 -3.332 0.085) 3.350 7.831 ( -0.355 -0.889 3.582) 3.707 8.217 ( 4.046 2.567 2.354) 5.339 8.265 ( 3.809 -2.615 -2.483) 5.245 8.355 ( 7.923 4.249 -0.497) 9.004 8.371 ( 1.640 4.055 -1.888) 4.765 8.502 ( 4.420 4.194 -1.246) 6.220 8.651 ( 3.735 0.390 2.079) 4.292 8.758 ( 0.346 -2.375 -1.140) 2.657 8.836 ( 0.314 -1.655 0.229) 1.700 8.897 ( 3.654 -1.070 -5.440) 6.640 8.982 ( -4.528 2.457 0.835) 5.219 9.014 ( -0.232 4.392 -2.160) 4.900 9.156 ( -6.013 -1.478 5.911) 8.560 9.252 ( 0.413 -1.488 -5.542) 5.753 9.348 ( -1.372 -1.464 0.595) 2.093 9.424 ( -3.484 -2.346 -1.091) 4.339 9.538 ( -0.268 1.932 2.452) 3.133 9.647 ( -0.618 -5.294 -0.172) 5.332 9.686 ( 0.443 -7.976 -3.501) 8.722 9.880 ( -4.763 4.512 -0.599) 6.588 9.969 ( -0.438 1.303 -3.254) 3.533 10.018 ( -3.343 -1.135 2.292) 4.209 10.164 ( 5.796 3.846 -4.175) 8.113 10.244 ( -2.201 -3.850 -1.401) 4.651 10.393 ( -1.721 -1.671 0.108) 2.401 10.587 ( -1.156 -2.739 3.141) 4.325 10.686 ( 4.206 -4.444 0.211) 6.123 10.723 ( -1.817 -1.032 -0.969) 2.303 10.919 ( -3.292 -0.671 2.366) 4.110 10.952 ( -1.956 -1.383 -3.397) 4.157 11.125 ( -1.651 -2.610 -3.615) 4.755 11.247 ( 3.048 0.141 -1.405) 3.359 11.428 ( 0.833 0.907 0.409) 1.298 11.931 ( -0.932 -0.746 1.766) 2.131 12.009 ( -0.722 -3.245 5.813) 6.696 12.041 ( 3.559 2.303 2.621) 4.984 12.076 ( 1.827 1.719 -0.917) 2.671 12.147 ( 0.504 -0.229 3.611) 3.654 12.274 ( 1.050 1.369 2.441) 2.989 12.326 ( 1.631 -0.922 5.486) 5.797 12.382 ( 0.433 5.060 1.230) 5.225 12.493 ( 3.234 3.064 0.998) 4.565 12.538 ( -0.915 1.610 0.892) 2.056 12.686 ( 2.268 -5.867 1.159) 6.397 12.773 ( 1.192 -3.491 -1.856) 4.129 12.884 ( -1.131 -3.578 -0.747) 3.826 12.990 ( 2.322 1.172 2.149) 3.374 13.087 ( 3.597 -3.171 -0.707) 4.847 13.124 ( 0.301 3.177 0.393) 3.215 13.148 ( -1.878 -0.626 -2.538) 3.219 13.297 ( -5.789 -0.296 -0.080) 5.797 13.361 ( 4.340 1.315 1.249) 4.704 13.452 ( -6.378 2.534 4.163) 8.026 13.498 ( -7.083 -0.556 -1.593) 7.281 13.573 ( -4.198 -3.049 3.560) 6.292 13.679 ( -2.510 -0.703 0.371) 2.633 13.717 ( 5.049 -4.046 -10.127) 12.018 13.827 ( 1.648 5.880 3.460) 7.018 14.242 ( 6.142 2.859 -3.799) 7.767 14.262 ( 5.926 4.221 -1.804) 7.496 14.304 ( 2.075 1.117 0.839) 2.502 14.485 ( 1.528 3.758 1.480) 4.318 14.703 ( -7.524 6.390 -2.019) 10.075 14.728 ( 6.588 -3.236 5.027) 8.896 14.808 ( -1.748 3.739 -5.266) 6.691 15.062 ( -1.300 -0.341 -2.897) 3.193 15.292 ( -0.538 3.858 -1.242) 4.088 15.344 ( 0.469 -1.826 -0.265) 1.904 15.459 ( 0.983 1.170 0.168) 1.537 15.512 ( 2.836 0.795 -1.882) 3.495 15.643 ( -0.247 7.706 -2.117) 7.996 15.713 ( 8.032 -5.236 4.408) 10.553 15.985 ( 5.533 3.609 2.615) 7.104 16.048 ( -3.931 -0.846 -5.382) 6.719 16.190 ( 0.131 -1.907 -1.516) 2.440 16.251 ( -1.111 0.181 -0.615) 1.283 16.375 ( -1.755 -4.780 5.883) 7.780 16.529 ( -1.854 3.530 -0.920) 4.092 16.784 ( -3.005 -6.269 -4.752) 8.421 16.859 ( -4.184 -2.133 -0.362) 4.711 16.944 ( -3.193 -2.307 0.067) 3.940 19.178 ( -0.044 1.600 -1.501) 2.194 19.332 ( 1.825 -2.050 -0.871) 2.880 19.453 ( -3.283 -5.516 1.070) 6.508 19.598 ( 3.478 -6.294 -3.421) 7.964 20.884 ( -1.916 5.250 1.060) 5.688 21.078 ( -2.299 2.438 -2.966) 4.475 21.132 ( -1.410 -0.740 -0.128) 1.598 21.191 ( 2.777 2.416 2.332) 4.357 25.045 ( -0.866 -0.344 1.252) 1.561 25.081 ( 2.272 -1.815 1.713) 3.375 25.344 ( -2.037 1.730 1.955) 3.311 25.499 ( -1.016 -3.069 7.203) 7.895 25.959 ( -0.273 1.671 -4.240) 4.566 25.997 ( -0.090 1.804 -3.123) 3.608 26.088 ( 1.502 2.781 3.392) 4.636 26.162 ( 1.763 -0.223 2.640) 3.182 26.538 ( -4.008 -0.383 -4.599) 6.113 26.625 ( -0.842 -1.736 2.219) 2.941 26.949 ( -0.336 2.666 3.211) 4.187 27.158 ( -2.227 -0.214 -0.213) 2.248 27.252 ( -0.730 -5.446 2.749) 6.144 27.350 ( -1.462 -3.480 1.473) 4.052 27.425 ( -6.284 3.265 1.849) 7.319 27.487 ( -3.094 -0.305 0.062) 3.109 27.538 ( -3.490 0.083 -0.953) 3.619 27.631 ( 2.476 -1.022 -1.865) 3.264 27.818 ( 7.788 13.770 4.338) 16.404 27.968 ( -5.202 0.603 -4.421) 6.854 28.082 ( 0.803 -1.231 -1.476) 2.083 28.153 ( 1.612 6.063 -5.345) 8.242 28.190 ( -1.445 0.391 1.510) 2.127 28.316 ( 3.242 -2.319 -0.611) 4.032 28.347 ( -1.867 4.184 3.060) 5.509 28.473 ( 0.966 -3.754 1.924) 4.328 28.594 ( 5.672 -0.387 1.286) 5.829 28.792 ( 3.243 -10.846 -1.626) 11.436 28.903 ( 10.537 -0.129 -0.591) 10.554 29.093 ( 7.731 -2.814 2.259) 8.532 29.264 ( 6.003 5.645 -8.787) 12.046 29.373 ( 1.043 4.075 4.949) 6.495 29.684 ( -3.672 -0.385 -2.507) 4.463 29.811 ( -0.060 2.645 2.922) 3.941 30.015 ( -0.862 3.960 4.477) 6.039 30.408 ( -3.247 -0.354 -5.523) 6.417 30.467 ( -0.519 -12.796 -4.890) 13.708 30.792 ( -2.714 -10.543 4.984) 11.973 30.926 ( -8.810 6.158 2.999) 11.160 31.186 ( -2.139 1.173 -5.394) 5.920 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 10.861 10.047 33.241) 36.385 1.233 ( -17.096 11.774 20.295) 29.031 1.664 ( 5.313 1.405 -12.251) 13.427 1.789 ( 5.766 -8.683 12.175) 16.027 2.019 ( 4.049 3.211 -3.936) 6.496 2.122 ( 9.192 3.132 -11.131) 14.771 2.206 ( -7.790 -2.041 12.511) 14.878 2.277 ( -17.095 14.127 17.835) 28.458 2.341 ( 4.539 -2.116 -4.973) 7.058 2.430 ( 0.001 -4.654 1.490) 4.887 2.591 ( 0.050 0.288 4.195) 4.205 2.682 ( 6.382 -3.987 0.379) 7.534 2.774 ( -2.298 0.168 1.631) 2.823 2.846 ( -0.080 4.713 0.070) 4.714 2.956 ( -5.405 0.850 1.778) 5.753 2.978 ( 7.854 -1.991 -1.225) 8.195 3.010 ( -3.204 -0.816 -0.182) 3.311 3.097 ( -0.859 4.217 -1.002) 4.419 3.131 ( 0.027 -0.602 2.935) 2.996 3.234 ( -6.259 -6.333 0.578) 8.923 3.301 ( 0.069 3.080 2.639) 4.056 3.357 ( -4.884 5.759 -5.320) 9.237 3.545 ( 1.167 1.076 -3.577) 3.914 3.577 ( 1.435 1.322 0.850) 2.128 3.703 ( -2.138 6.154 -2.472) 6.968 3.757 ( 1.674 1.585 1.125) 2.565 3.931 ( 0.155 -1.709 0.607) 1.821 4.000 ( -0.181 6.303 -3.561) 7.242 4.069 ( -0.695 3.562 2.955) 4.680 4.135 ( -1.519 0.437 -3.189) 3.559 4.160 ( 0.604 -5.521 0.929) 5.632 4.254 ( -4.835 -2.986 1.946) 6.007 4.313 ( 1.590 -4.416 -3.190) 5.675 4.355 ( -5.521 1.454 -3.263) 6.576 4.413 ( 6.135 -1.915 4.832) 8.040 4.438 ( -1.748 -3.363 2.471) 4.525 4.559 ( 3.508 -1.135 -3.497) 5.082 4.620 ( -0.052 -0.263 -3.394) 3.405 4.681 ( 4.192 -3.887 2.298) 6.161 4.794 ( -0.315 4.198 2.051) 4.683 4.873 ( -3.293 1.208 -1.762) 3.925 4.977 ( 0.269 -4.583 -2.741) 5.347 4.999 ( -0.444 -0.324 2.875) 2.927 5.054 ( 2.181 5.958 -1.281) 6.473 5.102 ( -0.252 -2.492 -2.946) 3.867 5.234 ( 1.112 -0.489 -3.346) 3.560 5.325 ( 1.429 3.525 -6.082) 7.173 5.357 ( 2.120 3.026 -3.929) 5.393 5.434 ( -0.385 1.665 -3.105) 3.544 5.486 ( 0.451 -0.144 -5.141) 5.163 5.560 ( 0.989 0.529 -1.052) 1.538 5.668 ( -1.075 -3.578 -2.480) 4.484 5.723 ( 0.293 -3.875 1.853) 4.305 5.792 ( 2.096 -1.313 1.534) 2.910 5.826 ( 1.030 -4.627 -1.525) 4.979 5.912 ( 2.723 -3.280 0.342) 4.277 5.981 ( 1.382 -1.324 -2.778) 3.374 6.013 ( 0.170 -4.427 -2.381) 5.030 6.126 ( -0.040 -1.856 2.197) 2.877 6.229 ( -2.308 -1.984 -0.906) 3.176 6.320 ( -1.141 1.082 -0.691) 1.718 6.355 ( -2.385 1.603 -1.456) 3.221 6.455 ( 1.358 1.721 3.018) 3.730 6.520 ( -0.586 -0.738 -0.765) 1.214 6.782 ( 5.572 3.549 6.875) 9.534 6.855 ( 4.353 0.306 1.796) 4.719 6.972 ( -4.670 -2.329 3.846) 6.483 7.056 ( 1.964 -2.196 2.935) 4.159 7.236 ( -0.537 3.432 -3.080) 4.642 7.262 ( 2.780 2.740 -0.001) 3.904 7.325 ( 0.970 2.421 -0.175) 2.614 7.495 ( -1.850 3.410 -0.619) 3.929 7.651 ( 3.009 -0.074 3.717) 4.782 7.710 ( -1.396 -0.668 3.967) 4.258 7.834 ( -0.723 -0.010 1.735) 1.879 7.857 ( 0.726 -1.229 0.620) 1.556 8.257 ( 3.026 3.722 0.036) 4.797 8.311 ( 1.087 1.060 -1.871) 2.409 8.397 ( 4.252 4.862 -0.346) 6.468 8.522 ( 5.309 -0.533 1.800) 5.631 8.589 ( 6.615 4.960 0.463) 8.281 8.712 ( -0.227 -1.491 -1.397) 2.056 8.720 ( 2.102 -3.992 -1.638) 4.800 8.856 ( -1.968 0.920 0.247) 2.187 8.893 ( 4.711 -1.384 -4.781) 6.854 8.915 ( -5.541 0.924 2.275) 6.061 9.023 ( 5.698 2.386 -3.598) 7.149 9.108 ( -6.584 -1.656 3.086) 7.458 9.212 ( 1.446 -2.043 -2.313) 3.408 9.314 ( -1.861 -1.794 -2.169) 3.374 9.366 ( -1.065 -1.366 0.118) 1.736 9.546 ( -2.456 3.301 0.786) 4.189 9.576 ( -5.918 -4.324 3.429) 8.092 9.705 ( 4.382 -8.805 -5.045) 11.054 9.805 ( -4.983 3.030 3.296) 6.699 9.947 ( 2.073 1.917 -4.687) 5.472 10.005 ( -0.699 1.211 2.427) 2.801 10.157 ( 0.042 -0.864 -5.462) 5.530 10.287 ( 4.826 -3.224 1.395) 5.969 10.364 ( -1.987 -1.479 1.394) 2.842 10.601 ( -0.356 -3.140 4.073) 5.155 10.708 ( 0.438 -3.028 1.061) 3.239 10.786 ( 3.846 -3.269 3.462) 6.120 10.889 ( -2.251 -4.403 -0.323) 4.956 10.959 ( 3.155 0.635 1.923) 3.748 11.058 ( -1.361 0.026 -1.777) 2.238 11.228 ( -0.059 1.680 -6.388) 6.606 11.371 ( -4.288 -0.119 -3.173) 5.336 11.924 ( -0.522 0.369 -0.071) 0.643 11.993 ( -5.035 -4.750 3.183) 7.619 12.122 ( 2.636 -1.826 0.233) 3.214 12.128 ( 2.181 -2.195 0.280) 3.107 12.216 ( 3.124 1.074 4.610) 5.672 12.353 ( 3.805 5.783 3.532) 7.771 12.398 ( -0.857 4.761 4.624) 6.692 12.426 ( 1.508 3.968 3.242) 5.341 12.500 ( -2.205 3.044 -0.774) 3.837 12.541 ( 1.954 0.216 0.530) 2.036 12.726 ( 1.778 -3.587 -3.596) 5.381 12.797 ( 1.977 -4.172 -0.096) 4.618 12.837 ( -2.061 -2.017 -0.599) 2.946 12.981 ( -3.972 -2.804 -3.926) 6.249 13.033 ( -2.512 2.979 -1.018) 4.027 13.153 ( -0.383 -0.249 1.795) 1.852 13.187 ( 3.085 1.006 1.012) 3.399 13.276 ( -0.052 0.078 3.946) 3.947 13.340 ( -4.077 0.402 -1.594) 4.396 13.406 ( -0.582 0.620 6.636) 6.690 13.505 ( 3.897 3.737 2.138) 5.807 13.552 ( -0.370 -4.932 2.466) 5.526 13.671 ( 1.099 -1.253 -1.190) 2.048 13.719 ( 5.143 -0.410 -7.997) 9.517 13.949 ( 5.204 4.510 7.228) 9.984 14.267 ( -4.439 -1.171 -1.014) 4.701 14.286 ( 3.429 3.539 -1.831) 5.257 14.343 ( 1.496 5.802 -1.549) 6.189 14.482 ( -4.066 4.346 -1.105) 6.053 14.549 ( -3.164 5.968 -5.394) 8.644 14.790 ( 4.165 3.212 -1.510) 5.473 14.843 ( 2.268 -5.788 0.548) 6.240 15.023 ( 0.678 1.600 -2.073) 2.705 15.284 ( 0.214 3.631 -1.427) 3.907 15.328 ( -0.891 -1.483 -1.195) 2.102 15.436 ( -2.426 1.525 -4.411) 5.260 15.541 ( 1.513 4.183 0.751) 4.511 15.604 ( -0.675 6.590 0.215) 6.628 15.873 ( 5.639 -8.653 -1.135) 10.390 15.935 ( -1.889 -3.866 -4.169) 5.991 16.110 ( 4.625 1.865 3.628) 6.167 16.167 ( -0.046 -0.804 -3.453) 3.545 16.231 ( -1.353 -0.962 0.338) 1.694 16.348 ( -6.569 -6.467 4.570) 10.289 16.530 ( 2.089 2.704 -1.913) 3.916 16.661 ( -4.964 -1.003 -4.409) 6.714 16.775 ( -4.015 -1.197 -0.852) 4.275 16.835 ( -7.053 -0.071 -4.671) 8.460 19.160 ( -0.152 2.243 -2.258) 3.187 19.221 ( -7.957 1.712 -4.174) 9.147 19.464 ( 0.938 -4.637 3.643) 5.971 19.607 ( 1.421 -6.879 -3.299) 7.760 20.887 ( -0.347 4.492 2.078) 4.962 21.005 ( -2.836 4.257 -2.103) 5.530 21.156 ( 3.243 -4.094 2.060) 5.614 21.255 ( 1.975 -0.935 1.346) 2.566 25.041 ( -0.993 0.316 1.630) 1.935 25.127 ( 2.076 -2.822 -1.586) 3.846 25.351 ( -0.348 0.025 3.577) 3.594 25.516 ( -4.403 -6.329 3.278) 8.378 25.919 ( -0.080 2.896 -2.993) 4.166 25.975 ( 0.142 2.334 -3.062) 3.853 26.143 ( 1.395 2.645 1.637) 3.409 26.186 ( -1.072 0.225 -0.405) 1.168 26.484 ( 2.006 2.133 5.028) 5.819 26.659 ( 0.694 -1.957 4.386) 4.852 26.990 ( 0.303 2.935 3.602) 4.656 27.093 ( -3.615 -0.138 -1.731) 4.011 27.202 ( -9.293 -1.205 1.164) 9.443 27.286 ( -2.890 -1.087 -2.023) 3.691 27.387 ( -0.440 -2.464 2.170) 3.313 27.442 ( -0.863 -0.244 -1.891) 2.093 27.476 ( -0.294 1.412 -3.066) 3.388 27.644 ( -2.975 2.682 -3.126) 5.081 27.776 ( 1.109 5.925 -2.516) 6.532 28.044 ( -0.278 -1.313 -4.192) 4.401 28.101 ( 3.013 0.920 2.080) 3.775 28.175 ( 0.107 3.231 -0.089) 3.234 28.206 ( 8.724 5.498 1.303) 10.394 28.334 ( -2.377 3.902 3.054) 5.495 28.385 ( 4.108 -3.387 0.410) 5.340 28.495 ( -0.307 -6.859 0.381) 6.876 28.735 ( 7.874 -2.004 3.358) 8.792 28.849 ( 2.754 -12.543 1.197) 12.897 29.097 ( 10.643 0.729 0.231) 10.671 29.231 ( 6.388 0.812 0.097) 6.440 29.308 ( 0.846 0.577 1.033) 1.454 29.361 ( 1.826 2.334 -9.670) 10.114 29.642 ( 0.511 4.210 5.242) 6.742 29.838 ( -1.699 1.042 4.112) 4.570 30.052 ( -2.300 2.548 7.104) 7.890 30.227 ( -6.648 -3.970 -2.579) 8.161 30.490 ( 5.534 -0.778 -4.459) 7.150 30.774 ( -5.828 -6.479 2.055) 8.953 30.816 ( -1.952 0.728 -0.602) 2.168 31.058 ( -8.122 0.454 -1.673) 8.304 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.375 13.724 11.050) 17.779 1.649 ( 6.127 -3.457 -3.918) 8.052 1.784 ( 6.812 10.789 23.860) 27.058 1.951 ( 6.613 0.931 -1.279) 6.799 1.984 ( 4.152 -10.584 12.670) 17.023 2.032 ( 4.212 -6.389 -5.943) 9.689 2.280 ( 0.383 6.353 -11.116) 12.809 2.364 ( -2.140 -2.740 -10.757) 11.305 2.486 ( 4.638 2.164 6.969) 8.646 2.526 ( -7.450 9.203 8.376) 14.504 2.594 ( 4.047 -6.446 6.541) 10.036 2.690 ( -8.331 -7.843 -1.547) 11.546 2.786 ( 0.105 5.015 7.050) 8.653 2.848 ( 5.207 -1.144 6.151) 8.140 2.942 ( 1.217 2.085 3.423) 4.189 2.988 ( 0.114 -3.040 1.194) 3.268 3.014 ( -0.521 4.534 1.351) 4.759 3.060 ( -1.393 -0.836 -3.939) 4.261 3.087 ( -4.796 0.953 -4.654) 6.751 3.121 ( -1.367 -0.090 -5.502) 5.670 3.336 ( 1.291 6.194 5.050) 8.095 3.448 ( -0.392 3.356 0.931) 3.505 3.536 ( 1.899 -0.227 -0.678) 2.029 3.628 ( -3.725 -2.511 -5.249) 6.909 3.807 ( 7.117 0.394 8.040) 10.745 3.839 ( -0.499 -2.178 7.124) 7.466 3.873 ( 2.389 7.192 0.580) 7.600 3.968 ( -3.838 -0.409 -0.821) 3.946 4.040 ( -6.397 -1.191 -8.224) 10.487 4.085 ( -4.501 -3.722 -7.613) 9.596 4.199 ( 1.061 4.775 -1.038) 5.001 4.226 ( 2.628 2.304 -3.665) 5.064 4.269 ( 3.097 -0.359 1.712) 3.556 4.281 ( 2.763 -0.349 2.991) 4.087 4.397 ( -1.196 3.435 -1.927) 4.116 4.438 ( -2.042 -3.200 -2.161) 4.368 4.466 ( -1.066 -3.445 -3.312) 4.896 4.505 ( 1.875 -6.602 -6.080) 9.170 4.740 ( 0.541 -1.136 5.467) 5.610 4.784 ( -1.695 -4.633 1.180) 5.072 4.880 ( 0.680 2.877 0.939) 3.101 4.900 ( -0.494 0.725 -0.642) 1.088 5.066 ( 3.275 1.849 0.372) 3.779 5.094 ( -0.626 -1.534 1.220) 2.058 5.160 ( 1.543 4.434 0.346) 4.707 5.185 ( -0.534 2.154 -3.480) 4.128 5.337 ( -0.600 1.044 -3.858) 4.042 5.354 ( -4.089 -0.197 -5.102) 6.542 5.444 ( -1.685 3.577 -1.339) 4.174 5.474 ( 0.519 1.048 -2.912) 3.138 5.541 ( -2.406 0.431 1.767) 3.017 5.580 ( -0.531 2.314 -2.086) 3.160 5.619 ( -0.921 -6.345 2.944) 7.055 5.693 ( 0.414 -7.995 -3.778) 8.852 5.797 ( 0.995 -0.627 -0.079) 1.179 5.831 ( 0.180 -3.809 -3.418) 5.121 5.956 ( 0.898 -0.623 -1.613) 1.948 5.961 ( 1.105 -1.187 -2.424) 2.917 6.137 ( 0.646 -0.400 2.072) 2.207 6.155 ( 0.293 -2.326 0.146) 2.349 6.321 ( -1.766 1.000 -0.478) 2.085 6.333 ( -0.609 -0.198 -1.320) 1.467 6.525 ( -0.168 1.519 2.204) 2.682 6.537 ( 1.241 0.312 0.998) 1.623 6.890 ( -5.121 2.299 6.056) 8.257 6.939 ( -1.597 -2.176 6.417) 6.962 6.975 ( 4.590 2.325 -0.312) 5.155 7.049 ( 3.525 -4.583 -1.977) 6.110 7.297 ( 0.967 5.132 0.520) 5.248 7.336 ( 0.408 2.864 -3.040) 4.196 7.387 ( 2.194 -0.954 0.212) 2.401 7.417 ( -2.004 -2.254 -2.634) 4.004 7.724 ( -0.767 -0.218 2.853) 2.962 7.727 ( 1.089 -0.576 2.458) 2.750 7.855 ( -0.043 1.354 -0.005) 1.354 7.859 ( -0.045 1.006 -1.104) 1.495 8.327 ( -3.314 1.819 2.384) 4.469 8.349 ( -0.712 0.318 0.625) 0.999 8.550 ( -0.127 3.950 1.662) 4.288 8.627 ( 2.986 0.967 -5.601) 6.420 8.638 ( 3.909 -1.028 2.011) 4.515 8.678 ( -2.470 0.351 -2.087) 3.252 8.783 ( -2.862 2.695 1.013) 4.060 8.808 ( 2.754 -0.931 0.249) 2.917 8.834 ( -2.125 1.390 2.335) 3.450 8.912 ( 4.402 -4.265 -3.512) 7.064 9.023 ( -4.612 2.880 3.023) 6.221 9.096 ( 2.916 -1.859 -3.553) 4.958 9.171 ( 0.307 0.143 0.433) 0.550 9.210 ( -1.429 -1.033 -3.112) 3.577 9.403 ( 0.307 -0.435 1.809) 1.886 9.464 ( -0.076 -6.042 -3.922) 7.204 9.568 ( 0.488 2.227 2.419) 3.325 9.600 ( 0.132 -1.576 -0.477) 1.652 9.860 ( -1.055 4.859 3.193) 5.909 9.935 ( 1.889 -1.860 -3.461) 4.359 10.034 ( 0.975 -1.055 0.520) 1.528 10.055 ( -0.782 -3.683 -1.343) 3.998 10.312 ( -2.364 -0.246 2.117) 3.183 10.326 ( 0.810 -1.499 0.669) 1.831 10.619 ( 1.867 1.595 2.921) 3.816 10.663 ( -0.072 -1.319 -1.120) 1.732 10.761 ( -0.090 -4.488 1.541) 4.746 10.776 ( -1.318 -4.328 -0.327) 4.536 11.079 ( 2.665 4.054 3.669) 6.082 11.127 ( 4.811 -1.309 3.487) 6.084 11.185 ( -2.327 3.327 -4.252) 5.879 11.231 ( -5.206 -1.469 -4.585) 7.091 11.902 ( -1.592 -0.211 1.423) 2.145 11.914 ( 0.005 -1.037 0.030) 1.038 12.053 ( -1.010 -2.010 0.223) 2.260 12.075 ( 1.341 -3.977 -2.072) 4.680 12.393 ( 1.075 2.137 3.161) 3.964 12.410 ( -3.230 0.542 1.541) 3.620 12.478 ( 0.390 1.650 2.185) 2.766 12.512 ( 1.613 -1.859 -1.214) 2.744 12.581 ( -1.621 3.476 0.886) 3.936 12.609 ( 1.443 1.528 -0.102) 2.104 12.696 ( 2.705 2.852 1.337) 4.152 12.745 ( 3.128 -2.735 -2.238) 4.719 12.823 ( -5.386 4.927 2.632) 7.759 12.892 ( -1.621 1.890 -2.507) 3.533 13.088 ( -0.309 -2.261 2.033) 3.057 13.109 ( -0.630 -0.204 -0.146) 0.678 13.170 ( -2.378 0.276 2.072) 3.166 13.217 ( 0.865 -4.837 -1.500) 5.138 13.367 ( 2.464 1.798 2.895) 4.206 13.417 ( 0.968 -3.798 -1.328) 4.138 13.557 ( -5.753 1.177 4.710) 7.528 13.594 ( -6.630 -2.343 1.640) 7.221 13.685 ( 8.391 2.532 -3.655) 9.497 13.719 ( 7.317 -1.235 -5.515) 9.245 14.172 ( 2.894 2.641 8.989) 9.806 14.217 ( 1.288 -2.108 6.183) 6.659 14.354 ( -0.853 3.510 -5.817) 6.847 14.392 ( -3.252 0.093 -8.442) 9.047 14.521 ( -0.553 10.972 1.991) 11.165 14.591 ( -0.408 9.022 -5.508) 10.578 14.718 ( -0.362 -8.688 1.446) 8.815 14.760 ( -0.485 -7.802 -3.417) 8.531 15.187 ( 3.079 6.931 0.905) 7.638 15.236 ( -2.039 2.190 -3.289) 4.446 15.382 ( 2.097 1.608 -0.596) 2.709 15.393 ( -1.277 0.670 -2.213) 2.642 15.661 ( 2.002 3.517 1.130) 4.202 15.697 ( -2.954 4.380 -1.369) 5.457 15.721 ( -4.460 -3.147 1.255) 5.601 15.781 ( 1.312 -7.032 -3.732) 8.069 16.128 ( -3.026 -1.933 2.986) 4.670 16.142 ( 0.490 -2.795 2.698) 3.916 16.189 ( -2.702 1.763 1.965) 3.778 16.242 ( 3.967 -3.498 -2.120) 5.698 16.603 ( -0.088 1.814 -0.988) 2.067 16.605 ( 2.035 1.946 -1.051) 3.006 16.731 ( -1.945 0.160 -1.229) 2.306 16.736 ( -0.214 -0.176 -1.640) 1.664 19.173 ( -2.798 4.441 0.966) 5.337 19.210 ( 0.596 1.831 -2.857) 3.445 19.413 ( 0.200 -3.220 2.035) 3.815 19.457 ( 1.408 -6.622 -2.523) 7.224 21.024 ( 1.899 7.028 1.618) 7.458 21.046 ( -2.271 5.928 -0.678) 6.384 21.143 ( 2.324 -5.524 1.424) 6.160 21.162 ( -2.223 -6.768 -0.136) 7.125 25.064 ( -0.336 1.026 1.963) 2.241 25.086 ( -0.300 -1.401 0.109) 1.437 25.372 ( 0.371 -0.583 1.894) 2.016 25.389 ( -1.146 -2.338 0.500) 2.651 25.965 ( 0.045 2.542 -0.769) 2.656 25.976 ( -0.438 1.344 -1.777) 2.271 26.177 ( -0.479 0.412 0.503) 0.808 26.180 ( -0.129 0.089 0.332) 0.367 26.658 ( 5.175 0.317 3.435) 6.220 26.676 ( 1.706 -1.482 1.703) 2.829 26.993 ( -1.675 0.175 -1.686) 2.384 27.001 ( -1.969 -0.674 -2.337) 3.129 27.184 ( -1.393 4.749 5.488) 7.390 27.258 ( 0.306 -1.417 -0.124) 1.455 27.329 ( -2.157 -0.078 0.374) 2.191 27.377 ( 0.087 -3.389 -3.079) 4.580 27.582 ( 1.603 5.918 2.391) 6.581 27.632 ( 0.414 2.086 -1.937) 2.876 27.827 ( 0.157 0.115 0.556) 0.589 27.881 ( -3.361 -4.420 -4.137) 6.925 28.200 ( 0.511 4.558 0.915) 4.677 28.221 ( -0.592 4.513 -1.122) 4.688 28.310 ( -0.548 -5.214 1.627) 5.490 28.335 ( -0.819 -5.987 -0.784) 6.094 28.405 ( -1.018 4.437 2.287) 5.095 28.443 ( 1.679 1.768 -1.025) 2.645 28.714 ( -0.488 -4.681 1.834) 5.051 28.751 ( 1.724 -7.096 -1.199) 7.401 29.223 ( -5.885 4.641 4.467) 8.725 29.301 ( -3.346 -3.688 1.151) 5.111 29.318 ( 4.946 4.056 -3.615) 7.347 29.366 ( 6.070 -0.966 -3.712) 7.180 29.818 ( -0.804 1.798 2.439) 3.134 29.836 ( 3.979 -0.128 0.611) 4.028 30.089 ( -2.844 1.784 4.970) 5.998 30.125 ( -0.759 -2.118 1.841) 2.907 30.636 ( 0.134 3.106 0.747) 3.197 30.664 ( -0.872 1.427 -1.241) 2.082 30.797 ( -0.542 -2.650 -2.023) 3.378 30.832 ( 4.471 -5.205 -5.114) 8.558 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 2.179 11.977 2.295) 12.388 1.697 ( 6.645 -1.581 -12.077) 13.875 1.879 ( -6.549 7.768 -15.918) 18.884 1.906 ( -3.617 1.707 -8.405) 9.308 1.994 ( 1.420 0.915 2.055) 2.660 2.075 ( 0.142 -7.729 -11.047) 13.483 2.136 ( -2.753 7.250 0.659) 7.783 2.288 ( -1.497 -3.546 5.512) 6.723 2.423 ( -8.649 -0.376 -1.810) 8.844 2.498 ( -8.884 -9.453 -2.192) 13.156 2.613 ( 2.248 3.568 3.163) 5.272 2.708 ( -0.080 -6.166 5.562) 8.304 2.834 ( -1.769 1.454 -0.691) 2.392 2.888 ( -0.649 -3.866 -1.238) 4.111 2.944 ( -2.919 2.475 -1.404) 4.076 2.982 ( 0.143 -0.804 -4.928) 4.995 3.033 ( 3.293 2.564 2.582) 4.908 3.078 ( 4.452 -2.485 3.133) 5.984 3.125 ( 5.930 4.126 8.118) 10.867 3.160 ( 6.012 -0.235 1.919) 6.315 3.401 ( 1.416 7.014 -4.740) 8.583 3.437 ( 1.782 7.811 3.351) 8.684 3.526 ( 1.145 1.571 -3.903) 4.360 3.629 ( 2.548 -4.657 4.622) 7.038 3.799 ( -4.247 7.308 -6.146) 10.451 3.819 ( -1.908 4.684 -1.612) 5.309 3.888 ( -2.215 -0.491 -0.084) 2.270 3.993 ( 3.239 -7.862 0.831) 8.544 4.058 ( 1.720 -0.017 6.662) 6.880 4.091 ( 7.128 -4.440 7.439) 11.218 4.195 ( 0.495 6.344 -2.571) 6.863 4.236 ( 3.764 3.466 -1.533) 5.341 4.273 ( 0.050 1.403 -4.154) 4.385 4.312 ( 1.147 -5.204 -4.131) 6.743 4.406 ( -1.724 -2.937 2.756) 4.380 4.425 ( 1.730 2.680 0.869) 3.306 4.462 ( 3.241 -2.479 1.848) 4.479 4.497 ( 2.332 -5.265 -0.829) 5.818 4.734 ( -3.486 1.894 0.322) 3.981 4.792 ( -0.812 -4.157 2.863) 5.112 4.873 ( -0.884 1.522 -0.986) 2.018 4.920 ( -0.161 -2.324 -2.496) 3.414 5.047 ( 0.230 2.673 -0.808) 2.802 5.108 ( 0.706 1.500 -2.931) 3.367 5.119 ( -3.215 1.644 1.021) 3.752 5.194 ( 0.412 -1.564 -1.483) 2.194 5.271 ( -2.222 5.413 4.405) 7.324 5.329 ( -1.736 -0.053 2.894) 3.375 5.406 ( -3.230 2.533 2.824) 4.982 5.438 ( -2.067 -1.755 -1.378) 3.041 5.542 ( -1.112 3.204 3.192) 4.657 5.571 ( -0.291 -0.421 0.398) 0.649 5.624 ( -0.922 -5.665 3.521) 6.733 5.662 ( -0.257 -7.272 -2.317) 7.637 5.845 ( 3.192 -0.957 -1.529) 3.667 5.858 ( 4.413 -2.372 1.111) 5.132 5.911 ( -1.526 0.925 -1.588) 2.388 5.953 ( -0.489 -3.156 -1.606) 3.575 6.136 ( -1.683 -0.193 -1.297) 2.133 6.157 ( -0.048 -2.351 -0.268) 2.367 6.310 ( -1.008 1.013 2.439) 2.827 6.327 ( -0.124 -0.848 1.684) 1.889 6.519 ( -1.551 1.847 -0.023) 2.412 6.540 ( -0.740 -0.160 -1.166) 1.390 6.842 ( -5.534 3.684 3.162) 7.362 6.921 ( -4.664 -4.515 2.233) 6.865 7.020 ( 3.142 4.130 -3.775) 6.417 7.094 ( 2.916 -2.930 -4.998) 6.486 7.285 ( -1.176 3.393 -1.349) 3.836 7.304 ( -1.609 2.121 -0.423) 2.696 7.369 ( -0.045 1.943 -1.082) 2.225 7.441 ( 2.520 -4.889 1.636) 5.738 7.717 ( -1.468 1.297 -0.705) 2.081 7.757 ( 0.615 -2.832 -0.012) 2.898 7.833 ( -1.376 3.237 -1.124) 3.693 7.861 ( -0.014 -0.017 0.375) 0.376 8.276 ( -4.379 1.358 0.810) 4.656 8.325 ( -3.951 -2.889 2.148) 5.345 8.477 ( -5.528 4.007 -0.094) 6.828 8.535 ( -7.132 -1.161 -1.518) 7.384 8.657 ( -1.144 3.066 -0.045) 3.273 8.688 ( 1.404 0.103 -0.061) 1.409 8.754 ( 0.091 4.787 -1.789) 5.111 8.790 ( -4.230 1.035 3.192) 5.400 8.890 ( -0.618 2.129 -0.918) 2.399 8.943 ( 2.630 -3.482 -0.813) 4.439 9.018 ( 3.458 1.263 -0.215) 3.688 9.104 ( -0.098 -6.362 -0.152) 6.365 9.142 ( -0.959 2.006 0.722) 2.338 9.183 ( 0.382 -2.673 -0.008) 2.700 9.440 ( 4.381 2.865 -0.467) 5.255 9.503 ( 2.880 -4.356 0.281) 5.229 9.575 ( -0.712 -2.673 -1.516) 3.155 9.582 ( -0.790 -0.867 0.496) 1.273 9.887 ( 0.222 5.063 2.689) 5.737 9.955 ( 5.245 -0.616 -4.142) 6.712 10.034 ( -0.225 -1.767 -0.449) 1.837 10.058 ( 1.221 -2.169 0.602) 2.561 10.275 ( -3.250 2.557 1.166) 4.297 10.334 ( -0.718 -2.940 0.694) 3.105 10.615 ( -1.824 -0.985 -2.779) 3.467 10.660 ( -0.595 -3.721 -1.510) 4.060 10.745 ( -0.533 0.728 2.703) 2.850 10.822 ( 2.611 -5.633 1.964) 6.512 11.012 ( -5.975 3.461 -2.549) 7.361 11.071 ( -4.676 -2.886 -4.548) 7.133 11.226 ( 4.318 5.749 2.275) 7.541 11.291 ( 5.664 -1.164 4.136) 7.109 11.906 ( 0.328 0.511 1.391) 1.517 11.938 ( 1.421 -2.842 1.606) 3.561 12.053 ( 0.876 -0.280 0.226) 0.947 12.094 ( 2.754 -4.682 -1.217) 5.566 12.354 ( -3.301 4.814 -0.367) 5.849 12.435 ( -1.259 -4.325 1.959) 4.912 12.472 ( -3.700 3.097 1.010) 4.929 12.508 ( -1.926 -0.266 -0.268) 1.962 12.546 ( 0.421 4.384 -0.282) 4.413 12.590 ( 0.133 -0.676 -2.917) 2.998 12.706 ( -1.574 2.677 -2.690) 4.109 12.759 ( 0.946 -2.602 -4.298) 5.113 12.831 ( 0.045 4.317 5.867) 7.284 12.901 ( 1.117 -0.590 4.584) 4.755 13.005 ( -5.033 1.901 -0.271) 5.387 13.114 ( -2.786 -3.637 0.469) 4.606 13.170 ( -0.386 1.029 1.838) 2.142 13.232 ( -1.424 -8.275 0.405) 8.407 13.358 ( -1.853 2.735 -1.257) 3.535 13.428 ( 2.526 -3.622 -1.426) 4.640 13.485 ( -3.678 4.135 5.306) 7.667 13.561 ( -1.695 -3.173 3.358) 4.921 13.736 ( 4.113 2.473 -8.150) 9.459 13.762 ( 4.628 0.087 -6.950) 8.350 14.207 ( -3.788 4.488 -7.978) 9.907 14.259 ( 0.529 -0.583 -2.540) 2.659 14.301 ( -2.286 2.319 2.212) 3.936 14.344 ( 0.032 -0.150 7.076) 7.078 14.549 ( 1.531 7.762 -0.158) 7.913 14.604 ( 5.849 8.168 2.344) 10.317 14.715 ( -1.802 -7.664 -0.733) 7.907 14.735 ( 0.271 -6.307 2.061) 6.641 15.124 ( -4.045 9.030 -2.210) 10.139 15.256 ( 1.349 -2.080 0.393) 2.510 15.349 ( -1.354 2.907 -1.090) 3.387 15.398 ( 0.170 -1.503 -0.484) 1.588 15.624 ( -2.906 3.894 0.362) 4.872 15.689 ( -4.421 -1.855 1.709) 5.089 15.726 ( 2.166 4.016 2.903) 5.409 15.805 ( 4.660 -4.810 1.145) 6.794 16.100 ( -3.865 1.203 3.526) 5.369 16.138 ( -3.375 -2.408 2.462) 4.822 16.222 ( 4.697 1.399 -0.710) 4.952 16.301 ( 4.722 -5.644 -1.822) 7.581 16.590 ( 0.555 4.025 -1.416) 4.303 16.642 ( 3.486 -0.740 -2.463) 4.332 16.736 ( 1.933 -0.929 1.119) 2.419 16.746 ( 1.568 -1.811 2.085) 3.176 19.171 ( -0.058 4.563 2.855) 5.383 19.227 ( 2.432 0.104 0.298) 2.453 19.428 ( 0.055 -3.610 0.651) 3.668 19.452 ( 1.016 -4.673 -2.846) 5.565 20.996 ( -1.563 4.991 -0.473) 5.251 21.078 ( -1.724 1.360 -0.430) 2.238 21.099 ( 0.799 0.458 0.944) 1.319 21.203 ( 1.464 -5.399 0.516) 5.618 25.074 ( -0.557 0.262 1.095) 1.257 25.078 ( -0.260 -0.131 -0.273) 0.399 25.389 ( 1.251 0.337 -0.064) 1.297 25.426 ( 3.023 -3.764 1.237) 4.984 25.952 ( -0.683 2.789 0.180) 2.877 25.971 ( 0.154 0.853 0.538) 1.020 26.180 ( -0.073 0.424 0.427) 0.606 26.183 ( -0.089 0.317 0.387) 0.508 26.647 ( -0.926 2.510 -5.781) 6.370 26.702 ( 1.178 -3.480 -4.927) 6.146 27.031 ( 4.443 -0.051 2.531) 5.113 27.035 ( 3.876 -0.458 2.372) 4.567 27.204 ( -0.949 2.520 3.080) 4.091 27.248 ( -0.192 -1.166 -0.989) 1.541 27.338 ( 1.134 0.583 3.935) 4.136 27.382 ( 1.827 -3.285 0.203) 3.764 27.572 ( -1.009 6.826 -2.647) 7.390 27.663 ( 2.532 -1.351 -2.291) 3.672 27.810 ( -0.338 3.864 2.531) 4.632 27.898 ( 3.169 -4.321 4.354) 6.905 28.177 ( -1.812 5.440 0.120) 5.735 28.238 ( 1.309 2.811 -0.078) 3.102 28.283 ( -3.629 -2.018 1.144) 4.307 28.345 ( 0.401 -5.236 1.359) 5.424 28.368 ( -3.850 4.883 -0.997) 6.298 28.459 ( 1.154 0.116 -0.932) 1.488 28.647 ( -7.707 -4.990 -0.125) 9.182 28.687 ( -5.862 -7.926 -1.759) 10.014 29.132 ( -9.358 4.194 2.980) 10.679 29.199 ( -9.243 -2.831 2.202) 9.915 29.340 ( 0.358 3.446 -3.617) 5.009 29.381 ( 1.957 -0.710 -5.354) 5.745 29.802 ( 0.950 5.518 -1.645) 5.836 29.888 ( 1.613 -3.245 -2.389) 4.341 30.112 ( -1.051 1.477 5.538) 5.828 30.153 ( 1.314 -2.369 1.020) 2.894 30.469 ( -8.936 4.948 0.187) 10.217 30.602 ( -4.817 -9.405 0.054) 10.567 30.920 ( 14.389 6.257 -2.392) 15.871 31.032 ( 14.589 -5.825 -3.606) 16.117 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -1.801 10.561 -18.841) 21.674 1.547 ( 0.769 -4.546 -10.679) 11.632 1.795 ( 4.559 3.881 -5.629) 8.217 1.870 ( 11.590 -2.136 -9.496) 15.135 2.010 ( -6.022 10.680 9.836) 15.719 2.047 ( 5.023 1.524 -0.696) 5.295 2.170 ( -11.027 4.670 1.684) 12.093 2.213 ( 2.580 4.458 3.664) 6.321 2.259 ( -6.296 -6.796 0.967) 9.315 2.444 ( 0.798 -14.728 0.394) 14.755 2.619 ( -1.917 5.198 -0.208) 5.544 2.705 ( -3.342 -4.516 -0.334) 5.628 2.801 ( -1.151 0.058 -0.659) 1.328 2.814 ( -2.960 0.746 3.962) 5.001 2.961 ( 2.440 -2.207 -0.339) 3.308 2.995 ( 2.633 -5.824 -0.554) 6.416 3.094 ( 2.893 4.352 1.041) 5.329 3.159 ( 3.755 -2.666 0.192) 4.609 3.273 ( 3.491 4.131 1.217) 5.543 3.289 ( 4.617 1.639 2.178) 5.362 3.406 ( 6.937 2.261 -7.415) 10.403 3.458 ( 1.247 0.641 1.551) 2.091 3.593 ( 2.724 8.080 1.454) 8.650 3.678 ( 2.702 -1.953 0.655) 3.397 3.714 ( -1.214 4.354 -1.520) 4.769 3.821 ( -4.405 -4.035 0.004) 5.974 3.875 ( 5.399 11.277 2.173) 12.690 4.068 ( 4.208 -2.898 -5.020) 7.163 4.091 ( -1.034 -0.062 0.637) 1.216 4.148 ( -0.125 2.366 -3.471) 4.203 4.182 ( 0.267 1.173 -1.277) 1.754 4.234 ( -1.012 -5.709 -4.377) 7.265 4.291 ( -0.167 -1.812 0.153) 1.826 4.317 ( 3.881 -0.679 0.073) 3.941 4.427 ( 0.873 -0.762 0.140) 1.168 4.459 ( 1.193 -1.584 -2.230) 2.984 4.509 ( 3.228 1.820 1.233) 3.906 4.580 ( 1.933 -2.957 1.430) 3.811 4.677 ( -3.958 8.512 3.232) 9.928 4.789 ( -3.781 -2.403 2.657) 5.209 4.824 ( -3.372 -4.851 -0.438) 5.925 4.846 ( -2.300 -4.578 -3.380) 6.138 5.047 ( -2.862 1.037 0.081) 3.045 5.064 ( -4.325 -0.293 -0.475) 4.361 5.114 ( 3.527 5.160 0.173) 6.252 5.187 ( 1.350 -2.701 -2.333) 3.816 5.311 ( -3.216 3.640 6.200) 7.877 5.334 ( -0.201 2.985 4.870) 5.716 5.361 ( -4.798 -0.705 2.297) 5.366 5.413 ( -0.296 -3.270 3.205) 4.589 5.504 ( -3.866 2.230 1.420) 4.684 5.558 ( -3.176 -4.192 0.033) 5.259 5.659 ( 0.882 -3.268 0.782) 3.474 5.665 ( 0.414 -2.490 1.428) 2.901 5.837 ( -2.968 1.681 -0.540) 3.454 5.889 ( -2.218 -3.711 -1.193) 4.485 5.925 ( 3.923 2.353 -0.719) 4.631 5.978 ( 5.216 -3.150 0.202) 6.096 6.082 ( -3.485 1.477 0.335) 3.800 6.150 ( -0.299 -5.516 0.175) 5.527 6.323 ( -0.862 1.181 3.381) 3.684 6.353 ( -0.784 -1.596 4.264) 4.620 6.476 ( -2.713 1.913 -1.088) 3.493 6.508 ( -1.484 -1.422 -0.966) 2.272 6.780 ( -3.154 6.108 0.448) 6.889 6.883 ( -1.381 -3.356 1.606) 3.968 6.961 ( -3.230 3.270 -6.114) 7.649 7.044 ( -0.895 -3.756 -5.597) 6.800 7.279 ( 1.016 1.735 -0.021) 2.011 7.289 ( 0.224 1.198 0.505) 1.319 7.383 ( 1.097 5.186 0.775) 5.357 7.510 ( 2.974 -7.577 1.898) 8.358 7.654 ( -3.205 4.365 -3.606) 6.506 7.745 ( 0.007 -4.914 -3.428) 5.991 7.777 ( -3.096 3.987 -2.546) 5.653 7.845 ( -1.642 -3.057 -1.520) 3.788 8.221 ( -1.604 0.632 0.018) 1.724 8.252 ( -3.725 -2.092 -1.229) 4.446 8.422 ( -2.494 2.789 1.112) 3.903 8.437 ( -3.322 1.280 1.308) 3.793 8.578 ( -7.681 9.036 1.685) 11.979 8.688 ( -5.217 0.463 0.469) 5.259 8.710 ( -3.083 -1.015 2.474) 4.082 8.781 ( 1.694 -3.244 -1.060) 3.810 8.844 ( -1.018 4.435 0.214) 4.555 8.951 ( -2.022 -5.351 0.755) 5.770 9.058 ( 2.314 3.922 0.452) 4.576 9.151 ( 2.410 -5.420 3.604) 6.940 9.202 ( 3.524 0.810 1.507) 3.917 9.219 ( 4.229 0.058 0.313) 4.241 9.494 ( 0.613 3.440 -1.180) 3.688 9.521 ( 1.870 -0.509 -0.067) 1.939 9.563 ( 1.583 -6.464 -0.671) 6.689 9.581 ( 0.244 -3.610 -0.658) 3.677 9.930 ( 2.098 6.471 2.555) 7.266 10.026 ( 6.988 -2.093 -3.363) 8.033 10.034 ( 0.223 1.723 -0.344) 1.771 10.100 ( 2.036 -2.884 2.348) 4.240 10.235 ( -2.109 5.162 0.207) 5.580 10.327 ( -0.570 -3.728 0.848) 3.865 10.553 ( -2.096 -2.026 -2.231) 3.670 10.594 ( -4.026 -5.570 -1.758) 7.094 10.768 ( -0.440 3.477 1.839) 3.958 10.876 ( -0.629 -7.339 2.913) 7.921 10.929 ( 0.434 4.018 -1.101) 4.189 10.998 ( 0.569 -3.479 -1.915) 4.012 11.303 ( 1.916 7.243 1.714) 7.686 11.399 ( 2.422 -2.324 2.525) 4.200 11.926 ( 0.229 0.575 0.683) 0.922 11.966 ( -0.344 -3.438 0.970) 3.589 12.089 ( 3.022 1.281 -0.379) 3.304 12.134 ( 3.199 -3.116 -2.287) 5.017 12.270 ( -4.410 5.195 -3.878) 7.841 12.356 ( -5.453 -4.192 -4.043) 7.979 12.394 ( -5.245 5.807 1.425) 7.953 12.483 ( -2.876 -0.643 2.890) 4.127 12.547 ( 0.828 -0.142 -4.748) 4.822 12.567 ( 0.091 -1.078 -4.133) 4.272 12.664 ( -1.299 0.512 -1.621) 2.140 12.704 ( -0.525 -3.579 -2.368) 4.323 12.846 ( -3.441 5.074 3.651) 7.136 12.969 ( 0.871 -0.713 4.869) 4.997 12.984 ( -4.640 -6.353 2.698) 8.317 13.009 ( -2.029 -2.845 0.664) 3.557 13.178 ( -0.879 3.101 1.720) 3.653 13.233 ( 0.267 -3.347 2.378) 4.114 13.365 ( -0.325 3.755 3.378) 5.061 13.454 ( 1.185 -5.475 1.551) 5.812 13.544 ( 5.979 2.832 -0.737) 6.657 13.586 ( 3.023 -1.791 -0.445) 3.542 13.696 ( 2.233 3.602 -7.879) 8.947 13.748 ( 2.905 -1.218 -7.270) 7.923 14.057 ( -3.936 7.735 -7.327) 11.358 14.189 ( -2.875 -6.548 -5.576) 9.068 14.294 ( -4.170 7.487 6.882) 10.991 14.361 ( -5.189 3.024 5.345) 8.040 14.586 ( 1.373 1.065 0.880) 1.947 14.668 ( -2.453 -5.832 -0.419) 6.341 14.749 ( 4.434 3.689 1.827) 6.051 14.790 ( 4.985 1.145 0.957) 5.203 15.076 ( 0.168 8.617 -0.105) 8.619 15.260 ( -0.081 -8.256 -1.006) 8.317 15.331 ( -0.315 3.630 0.472) 3.674 15.389 ( -0.375 -3.486 -0.253) 3.515 15.574 ( -3.412 3.328 0.189) 4.770 15.616 ( -5.353 -1.614 0.931) 5.668 15.806 ( 3.025 8.809 3.557) 9.970 15.916 ( 3.727 -2.902 4.686) 6.653 16.062 ( -5.564 3.859 4.641) 8.209 16.110 ( -1.892 -1.951 1.562) 3.135 16.285 ( 3.826 0.921 -1.748) 4.306 16.362 ( 4.700 -7.786 -2.358) 9.395 16.585 ( 0.448 5.618 -1.563) 5.848 16.674 ( 3.403 -3.802 -2.737) 5.790 16.795 ( 2.902 -0.689 2.345) 3.794 16.829 ( 3.801 -4.399 3.153) 6.614 19.200 ( -0.246 4.344 2.370) 4.955 19.270 ( 0.646 -2.255 1.534) 2.803 19.430 ( 0.454 -3.167 -0.947) 3.337 19.436 ( -0.612 -3.129 -0.921) 3.319 20.985 ( 0.794 3.685 -0.224) 3.777 21.038 ( -0.954 -1.599 1.100) 2.162 21.147 ( 1.790 3.618 1.179) 4.206 21.209 ( -0.991 -2.412 0.336) 2.629 25.066 ( -0.285 0.232 -0.646) 0.743 25.072 ( -0.599 -0.353 -0.080) 0.699 25.415 ( 2.023 2.227 -1.002) 3.171 25.481 ( 2.392 -5.137 -0.412) 5.681 25.952 ( -0.249 2.843 1.457) 3.204 25.980 ( -0.221 0.026 1.252) 1.271 26.165 ( -1.333 1.217 -0.751) 1.955 26.178 ( -1.173 -0.219 0.005) 1.194 26.597 ( 2.512 3.533 -5.723) 7.179 26.665 ( 2.146 -3.738 -6.626) 7.904 27.061 ( -0.741 2.368 -1.760) 3.042 27.111 ( 0.437 -2.849 1.006) 3.053 27.234 ( 1.608 0.652 0.917) 1.963 27.277 ( 3.577 -3.468 1.046) 5.092 27.424 ( 1.754 0.878 5.279) 5.632 27.443 ( 2.012 -1.248 4.876) 5.421 27.554 ( 3.964 4.654 -2.643) 6.660 27.629 ( -0.236 -3.341 -3.377) 4.757 27.931 ( 5.514 5.732 6.161) 10.061 27.995 ( 1.941 -1.748 3.946) 4.733 28.120 ( -6.425 7.389 -4.820) 10.914 28.172 ( -6.528 4.689 2.271) 8.352 28.257 ( 0.554 4.176 -0.262) 4.221 28.298 ( -1.996 -0.384 -1.885) 2.772 28.361 ( 0.016 -6.043 1.613) 6.255 28.460 ( -2.091 -6.059 1.645) 6.617 28.505 ( -4.607 -0.697 0.049) 4.660 28.594 ( -3.440 -6.123 0.067) 7.024 28.966 ( -10.404 5.315 -0.656) 11.701 29.054 ( -8.672 -3.949 0.230) 9.532 29.274 ( -3.801 5.825 -0.622) 6.983 29.371 ( 1.620 -4.633 -2.425) 5.475 29.808 ( 1.889 4.963 -3.692) 6.468 29.875 ( 0.251 -1.290 -1.970) 2.369 30.114 ( -3.548 1.213 2.552) 4.535 30.180 ( -3.045 -6.361 4.923) 8.601 30.393 ( -0.241 9.300 2.093) 9.536 30.596 ( 2.479 -12.679 0.765) 12.942 31.112 ( 11.367 5.712 -4.719) 13.568 31.200 ( 9.822 -3.694 -5.404) 11.803 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 19.659 8.013 9.270) 23.165 1.663 ( 14.226 -6.791 8.133) 17.738 1.873 ( 6.673 9.284 -0.420) 11.441 1.994 ( 6.499 -0.278 1.006) 6.583 2.001 ( 1.587 6.104 -1.165) 6.413 2.081 ( -4.888 2.363 4.811) 7.254 2.147 ( -0.641 -1.232 11.404) 11.488 2.224 ( -1.901 -9.125 7.718) 12.102 2.309 ( 5.756 9.162 1.163) 10.882 2.488 ( 4.303 -8.737 -2.132) 9.970 2.618 ( 2.142 3.469 2.264) 4.664 2.676 ( 0.200 -3.045 3.114) 4.359 2.772 ( -2.667 1.872 -0.472) 3.292 2.826 ( -2.837 -2.033 3.940) 5.264 2.969 ( -1.269 -0.533 -1.782) 2.252 3.007 ( -1.104 -4.727 -0.818) 4.923 3.154 ( 3.146 3.071 -1.499) 4.645 3.205 ( 3.325 -1.860 -3.941) 5.481 3.292 ( -0.931 0.881 -1.317) 1.838 3.318 ( 0.273 -0.177 1.726) 1.756 3.471 ( 0.388 2.796 1.042) 3.009 3.534 ( 2.184 -1.706 4.919) 5.646 3.609 ( 7.421 9.799 -4.992) 13.266 3.727 ( -1.984 -2.386 3.694) 4.824 3.768 ( 3.641 1.126 2.256) 4.429 3.796 ( 4.879 2.757 -1.471) 5.794 3.959 ( 4.249 8.323 -4.045) 10.183 4.019 ( 1.062 2.912 -6.063) 6.809 4.073 ( 0.868 -2.259 -4.740) 5.322 4.086 ( -4.192 1.514 -7.136) 8.414 4.109 ( -1.871 -0.004 -2.588) 3.194 4.194 ( -1.811 -3.728 -2.076) 4.635 4.309 ( -0.253 2.225 -1.983) 2.992 4.363 ( -1.575 -4.081 -1.813) 4.735 4.366 ( -0.018 -2.137 -0.427) 2.180 4.418 ( -2.098 0.127 -6.218) 6.564 4.536 ( 1.400 2.811 -3.213) 4.493 4.582 ( -0.294 1.074 -2.304) 2.559 4.668 ( -2.965 8.897 2.885) 9.812 4.701 ( -5.655 -6.363 3.032) 9.037 4.721 ( -6.511 -6.117 -1.032) 8.993 4.831 ( -2.236 -6.744 0.760) 7.146 4.961 ( -4.439 1.516 0.473) 4.714 5.007 ( -2.502 -2.891 0.497) 3.856 5.157 ( 0.388 2.557 -0.330) 2.607 5.212 ( 2.999 -2.501 -0.534) 3.941 5.274 ( -2.585 6.525 0.144) 7.020 5.321 ( -0.719 2.074 -0.381) 2.228 5.397 ( -0.742 2.066 4.786) 5.265 5.467 ( 0.910 -2.544 5.013) 5.695 5.499 ( -0.290 -0.640 4.054) 4.114 5.524 ( 0.080 -3.193 1.469) 3.516 5.635 ( -1.903 -1.021 -2.943) 3.651 5.658 ( -1.168 -2.920 -0.692) 3.220 5.739 ( -5.483 2.112 -3.676) 6.931 5.814 ( -3.457 -6.324 -3.062) 7.831 6.001 ( 2.609 2.908 3.100) 4.988 6.042 ( -1.688 2.081 2.725) 3.822 6.083 ( 4.908 -2.047 1.075) 5.425 6.152 ( 1.458 -5.825 -0.110) 6.006 6.349 ( -1.194 0.184 3.208) 3.428 6.376 ( -2.319 -2.441 3.545) 4.889 6.415 ( -2.508 2.486 0.070) 3.532 6.459 ( -2.737 -1.964 -0.789) 3.460 6.754 ( -0.919 6.822 1.176) 6.984 6.855 ( -2.457 2.378 -3.585) 4.954 6.905 ( 1.508 -2.653 1.476) 3.390 6.987 ( -0.083 -5.062 -3.343) 6.067 7.296 ( 0.732 1.485 -0.348) 1.692 7.315 ( 1.246 -0.546 1.390) 1.945 7.412 ( 0.421 6.957 2.644) 7.454 7.552 ( -0.054 5.476 -4.618) 7.163 7.570 ( -1.185 -7.290 1.994) 7.650 7.676 ( -1.792 -1.232 -6.719) 7.062 7.704 ( -1.917 -1.319 -2.894) 3.714 7.787 ( -1.030 -5.464 -4.093) 6.904 8.211 ( 1.842 2.225 -2.848) 4.057 8.223 ( -0.077 0.452 0.563) 0.726 8.379 ( -3.045 6.964 1.553) 7.758 8.431 ( -3.110 -0.306 2.685) 4.120 8.481 ( -2.237 6.534 0.849) 6.958 8.585 ( -5.971 1.074 0.206) 6.070 8.687 ( -2.812 -2.760 4.582) 6.043 8.784 ( -1.463 -7.519 0.338) 7.667 8.876 ( 4.181 3.695 -1.175) 5.702 8.935 ( -0.630 -2.204 0.757) 2.414 9.111 ( 1.844 3.222 1.926) 4.182 9.182 ( -2.512 -3.453 3.876) 5.767 9.263 ( 1.434 2.671 1.530) 3.396 9.303 ( 4.095 -1.775 -0.842) 4.542 9.497 ( 0.559 4.204 1.902) 4.648 9.567 ( -0.736 -1.524 -0.750) 1.851 9.579 ( 4.509 -1.356 -0.176) 4.711 9.612 ( 2.931 -5.791 1.626) 6.691 9.985 ( 0.727 4.291 0.178) 4.356 10.025 ( -1.183 2.573 0.949) 2.987 10.107 ( 5.803 -0.164 -2.775) 6.434 10.180 ( 3.192 -4.613 3.859) 6.809 10.212 ( -0.157 8.125 -0.094) 8.127 10.336 ( 0.436 -4.768 0.656) 4.833 10.511 ( -1.253 -3.611 -0.416) 3.845 10.518 ( -2.817 -4.057 0.031) 4.939 10.781 ( 0.787 2.465 1.632) 3.059 10.872 ( -2.397 -6.399 3.800) 7.819 10.987 ( 4.134 1.509 1.369) 4.609 11.037 ( 3.754 -2.672 1.201) 4.762 11.314 ( -1.280 6.858 -1.626) 7.163 11.402 ( -3.098 -1.751 -1.495) 3.860 11.915 ( -1.277 0.460 -0.648) 1.504 11.952 ( -0.562 -3.091 -0.657) 3.210 12.104 ( -2.114 5.459 -4.791) 7.565 12.125 ( 1.455 0.528 -2.331) 2.798 12.168 ( -1.934 -1.760 -3.410) 4.298 12.224 ( -3.635 -5.373 -5.327) 8.394 12.354 ( -0.855 3.828 1.170) 4.093 12.446 ( -3.871 -3.398 0.126) 5.152 12.491 ( -0.442 2.858 -2.517) 3.834 12.521 ( -1.952 -0.185 -0.206) 1.971 12.640 ( 1.299 -0.361 -3.143) 3.420 12.679 ( -0.663 -4.231 -2.876) 5.159 12.846 ( -0.445 1.411 2.930) 3.282 12.898 ( -2.815 -3.175 0.049) 4.243 13.024 ( -0.351 -0.253 4.288) 4.310 13.050 ( 0.392 -2.438 2.795) 3.730 13.185 ( -0.980 4.389 3.126) 5.477 13.252 ( -2.187 -3.013 4.667) 5.970 13.382 ( 0.279 3.195 -1.564) 3.568 13.475 ( -0.378 -6.364 0.016) 6.375 13.607 ( 2.276 1.276 -2.462) 3.587 13.624 ( 3.327 -0.827 -3.103) 4.624 13.738 ( 8.481 3.255 -0.899) 9.128 13.790 ( 7.626 -2.095 -2.035) 8.166 13.949 ( -1.245 7.348 -3.250) 8.131 14.081 ( -3.761 -5.783 -2.907) 7.486 14.277 ( -7.397 5.411 4.506) 10.213 14.289 ( -5.641 6.201 3.636) 9.137 14.581 ( -2.673 0.201 -0.712) 2.774 14.622 ( 0.078 -1.783 -3.756) 4.158 14.800 ( 1.088 2.946 1.537) 3.496 14.875 ( 3.629 -1.655 -1.644) 4.314 15.113 ( 2.614 5.467 1.390) 6.217 15.241 ( 0.212 -7.917 -2.651) 8.352 15.352 ( 1.367 2.740 1.838) 3.572 15.390 ( 0.184 -1.968 0.945) 2.191 15.519 ( -2.479 2.423 -0.677) 3.532 15.536 ( -3.987 0.412 -0.449) 4.033 15.878 ( 1.329 10.344 3.215) 10.913 16.002 ( -3.976 5.895 3.712) 8.021 16.014 ( 0.465 -3.093 3.905) 5.003 16.104 ( -2.071 -3.718 3.526) 5.527 16.323 ( 3.039 2.111 -1.958) 4.187 16.401 ( 3.609 -6.359 -5.074) 8.900 16.587 ( -0.618 6.083 3.125) 6.866 16.704 ( 2.556 -5.777 -1.647) 6.528 16.861 ( 2.003 -1.061 1.259) 2.593 16.906 ( 2.695 -5.429 0.125) 6.062 19.209 ( -0.646 3.037 1.468) 3.434 19.269 ( -1.016 -2.708 -0.455) 2.928 19.411 ( -2.218 -2.180 1.080) 3.292 19.428 ( 0.821 -3.575 -1.608) 4.005 21.021 ( 2.614 4.195 1.362) 5.127 21.069 ( 1.340 -0.906 3.236) 3.618 21.174 ( -0.394 1.439 0.582) 1.601 21.186 ( -1.350 0.334 0.390) 1.444 25.052 ( -0.530 0.118 -0.724) 0.905 25.058 ( -0.364 -0.437 -1.018) 1.166 25.431 ( 1.270 2.596 -1.377) 3.201 25.489 ( 0.280 -3.721 -2.400) 4.437 25.972 ( 0.242 2.219 2.598) 3.425 25.994 ( 0.155 -0.033 2.098) 2.104 26.128 ( -1.277 1.469 -1.879) 2.705 26.144 ( -1.682 -0.306 -1.489) 2.267 26.606 ( 3.011 1.944 -3.143) 4.767 26.649 ( 2.478 -2.534 -4.931) 6.072 27.022 ( -0.326 1.775 -2.884) 3.402 27.078 ( -2.551 -4.263 -1.835) 5.296 27.283 ( 2.574 1.043 0.168) 2.782 27.315 ( 0.251 -2.254 0.538) 2.331 27.469 ( -0.819 1.204 3.043) 3.374 27.489 ( -1.778 -0.927 3.751) 4.253 27.646 ( 4.697 2.776 0.151) 5.458 27.687 ( 9.073 -1.850 0.235) 9.263 27.881 ( -7.322 4.906 -5.275) 10.272 27.940 ( -6.350 -1.964 -2.776) 7.203 28.132 ( 0.824 5.041 3.776) 6.352 28.154 ( 1.253 2.283 6.941) 7.414 28.249 ( 0.430 1.405 -0.820) 1.683 28.281 ( 1.355 0.707 0.932) 1.790 28.375 ( 0.121 -0.123 1.298) 1.310 28.465 ( 0.093 -5.041 3.113) 5.925 28.513 ( 1.456 -0.781 1.626) 2.318 28.551 ( -3.142 -3.315 2.732) 5.322 28.792 ( -7.541 6.267 -2.412) 10.097 28.914 ( -5.679 -6.854 -3.453) 9.548 29.235 ( -2.170 8.859 3.748) 9.861 29.388 ( 1.854 -7.363 -0.895) 7.645 29.792 ( 0.583 6.102 -2.320) 6.554 29.865 ( 0.240 -0.094 -1.253) 1.279 30.081 ( -1.893 0.317 1.377) 2.362 30.128 ( -6.661 -5.929 3.890) 9.729 30.474 ( 3.188 5.770 5.257) 8.431 30.647 ( 1.736 -11.972 0.212) 12.099 31.208 ( 6.533 4.126 -6.435) 10.056 31.261 ( 5.081 -1.615 -7.244) 8.995 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -5.224 4.209 8.873) 11.124 1.955 ( -0.610 -2.483 8.012) 8.411 1.985 ( 0.345 9.322 0.626) 9.349 2.011 ( 8.372 3.098 2.909) 9.388 2.105 ( 11.387 4.826 3.772) 12.930 2.182 ( 7.611 -2.560 -0.716) 8.062 2.224 ( -1.125 -0.647 8.946) 9.040 2.293 ( 1.202 -6.432 3.405) 7.377 2.452 ( 6.361 -1.610 6.252) 9.063 2.498 ( -0.774 -3.448 -2.388) 4.265 2.635 ( -2.875 3.493 -4.669) 6.501 2.694 ( -2.354 -1.113 -5.382) 5.979 2.751 ( 0.626 3.568 2.593) 4.455 2.806 ( 1.828 -0.893 -0.582) 2.116 2.915 ( 1.936 1.043 -0.240) 2.212 2.945 ( -2.752 -2.650 -2.060) 4.341 3.138 ( -3.295 -0.292 1.538) 3.647 3.179 ( -4.752 -3.499 -1.483) 6.085 3.277 ( -2.820 1.252 1.634) 3.491 3.334 ( 3.449 -4.824 -1.731) 6.177 3.529 ( 3.718 9.939 7.395) 12.934 3.646 ( 4.825 -0.918 5.623) 7.467 3.677 ( -0.153 4.982 -4.380) 6.635 3.696 ( -7.191 3.568 1.274) 8.129 3.800 ( -0.231 2.980 2.535) 3.919 3.881 ( 4.577 4.751 -6.563) 9.306 3.900 ( -0.544 -2.149 -3.632) 4.255 3.986 ( -0.597 -1.309 -9.393) 9.502 4.012 ( -0.256 0.501 -1.254) 1.374 4.040 ( -2.709 1.757 -2.400) 4.023 4.076 ( 3.991 -2.277 1.491) 4.831 4.139 ( -0.292 -4.034 -4.804) 6.280 4.164 ( -7.695 10.034 2.542) 12.898 4.266 ( -1.303 2.418 -6.556) 7.109 4.378 ( -3.062 -3.676 -0.194) 4.789 4.388 ( 1.830 -2.720 -0.837) 3.383 4.492 ( -5.457 0.769 1.222) 5.644 4.560 ( 1.408 -2.730 -3.498) 4.655 4.603 ( -2.749 -1.600 2.766) 4.215 4.657 ( 1.968 -5.744 -1.508) 6.256 4.721 ( 1.910 3.648 3.003) 5.096 4.777 ( 0.387 -0.496 -2.390) 2.471 4.945 ( -1.897 -1.072 3.956) 4.516 5.004 ( 2.161 -5.724 -1.266) 6.248 5.169 ( 1.153 5.620 0.314) 5.746 5.216 ( -0.139 5.039 -3.804) 6.315 5.253 ( 2.754 -2.687 0.849) 3.940 5.294 ( -1.572 -2.253 -2.672) 3.832 5.462 ( 3.094 3.088 4.666) 6.394 5.515 ( -1.576 -0.587 2.567) 3.069 5.526 ( -0.866 -0.417 -0.696) 1.187 5.533 ( -1.298 -0.452 1.284) 1.881 5.583 ( 0.264 2.045 -0.307) 2.085 5.617 ( -0.803 2.087 -3.742) 4.359 5.683 ( 2.448 -5.671 2.477) 6.655 5.734 ( -1.702 -8.351 -3.524) 9.223 6.042 ( 1.047 0.132 3.414) 3.573 6.065 ( -1.373 -2.382 1.859) 3.319 6.169 ( 4.685 2.362 2.364) 5.755 6.226 ( 2.008 -3.004 -0.444) 3.641 6.282 ( -4.001 0.564 -1.389) 4.273 6.299 ( -3.661 -1.261 -1.814) 4.276 6.434 ( 0.051 0.893 3.256) 3.377 6.454 ( 0.429 -0.870 1.390) 1.696 6.764 ( -0.482 5.184 2.946) 5.982 6.811 ( -0.109 3.010 -1.244) 3.259 6.933 ( 0.177 -3.831 -0.249) 3.843 6.972 ( 2.089 -5.260 -3.321) 6.562 7.303 ( -0.750 2.640 1.333) 3.051 7.326 ( -0.087 1.189 -0.424) 1.265 7.458 ( 0.256 5.887 5.063) 7.769 7.513 ( -0.537 3.011 0.063) 3.060 7.577 ( -0.207 -5.221 -3.597) 6.344 7.585 ( 0.937 0.552 -6.473) 6.564 7.666 ( 0.008 -3.306 0.714) 3.382 7.742 ( 1.228 -7.018 -5.249) 8.849 8.196 ( -3.930 4.282 1.481) 5.998 8.233 ( 2.641 0.719 -2.146) 3.479 8.371 ( -0.355 6.009 2.396) 6.479 8.410 ( 2.296 3.357 -1.193) 4.238 8.494 ( -2.073 3.538 1.666) 4.427 8.527 ( 2.233 2.285 -0.916) 3.323 8.712 ( -0.055 -5.777 4.491) 7.317 8.751 ( -2.158 -8.014 0.248) 8.304 8.921 ( -1.284 1.643 -0.449) 2.133 8.938 ( 4.037 -0.003 -1.861) 4.445 9.157 ( 1.605 0.523 1.486) 2.249 9.167 ( -1.745 0.630 1.239) 2.231 9.271 ( -3.177 2.286 3.497) 5.248 9.334 ( 1.685 -3.050 -2.208) 4.125 9.523 ( -1.222 3.257 2.055) 4.040 9.544 ( -0.678 0.317 -0.303) 0.807 9.651 ( 2.287 -0.988 1.299) 2.810 9.670 ( 0.474 -1.972 0.996) 2.259 9.970 ( -1.081 0.980 0.940) 1.736 10.001 ( -1.572 -0.819 -0.972) 2.022 10.157 ( -1.480 4.126 1.915) 4.783 10.206 ( 2.140 3.715 -1.307) 4.483 10.272 ( 1.254 -1.033 2.449) 2.939 10.341 ( 1.773 -4.081 -2.968) 5.349 10.494 ( -0.401 -2.137 1.376) 2.573 10.516 ( 1.342 -4.453 -0.788) 4.717 10.842 ( 2.973 -3.438 3.207) 5.562 10.854 ( -3.681 -4.908 2.384) 6.582 11.083 ( 3.932 3.662 3.680) 6.513 11.137 ( 4.096 -0.830 1.784) 4.544 11.225 ( -3.192 3.677 -3.568) 6.037 11.277 ( -5.882 -0.721 -5.279) 7.937 11.908 ( 0.775 2.241 1.644) 2.885 11.953 ( 0.193 -1.297 -0.838) 1.556 12.040 ( 0.807 1.934 -1.545) 2.603 12.095 ( -4.182 -0.105 -3.525) 5.471 12.121 ( -0.861 -4.337 -2.480) 5.069 12.124 ( 0.413 -2.434 -1.930) 3.134 12.362 ( -2.201 1.463 1.432) 3.006 12.398 ( 1.886 -1.061 -2.249) 3.121 12.487 ( -0.657 2.982 1.959) 3.628 12.509 ( 0.644 2.205 0.191) 2.305 12.623 ( -1.097 -2.179 -1.785) 3.023 12.640 ( 1.108 -4.270 -3.421) 5.582 12.862 ( -0.923 0.559 1.796) 2.095 12.888 ( 1.435 -1.953 -0.835) 2.563 13.046 ( -1.057 0.103 3.016) 3.197 13.076 ( 1.439 -2.843 0.207) 3.193 13.206 ( -1.710 4.368 5.405) 7.157 13.265 ( -2.065 -1.082 6.102) 6.533 13.350 ( -0.083 2.167 -3.985) 4.537 13.442 ( 0.978 -6.437 -5.666) 8.631 13.632 ( 1.670 0.047 -1.601) 2.314 13.635 ( 1.454 -0.337 -1.992) 2.489 13.825 ( -1.310 1.171 1.057) 2.050 13.856 ( 0.535 -1.819 -1.163) 2.224 13.999 ( 5.035 2.156 2.255) 5.924 14.019 ( -5.466 -0.226 0.596) 5.503 14.204 ( -0.436 6.300 3.371) 7.159 14.247 ( 1.192 1.909 -0.853) 2.407 14.530 ( -1.062 4.366 -0.594) 4.532 14.577 ( 0.215 2.086 -5.447) 5.837 14.830 ( -0.051 -1.715 2.621) 3.132 14.884 ( 0.501 -4.647 -2.522) 5.311 15.167 ( 1.097 3.097 1.232) 3.509 15.222 ( 2.182 -3.120 -4.422) 5.835 15.402 ( 1.155 1.464 2.508) 3.125 15.409 ( -0.277 0.613 1.867) 1.985 15.481 ( -0.679 1.477 -1.344) 2.110 15.485 ( 0.226 0.952 -1.649) 1.918 15.924 ( -0.088 10.745 3.382) 11.265 15.953 ( -2.394 8.769 1.055) 9.151 16.072 ( 0.238 -5.423 4.593) 7.110 16.100 ( -1.965 -6.487 2.395) 7.189 16.340 ( 0.497 2.951 -1.810) 3.497 16.383 ( 1.207 -1.039 -5.697) 5.916 16.624 ( -1.882 2.753 7.184) 7.920 16.723 ( 1.485 -5.221 -1.887) 5.746 16.882 ( -0.018 -2.450 0.373) 2.479 16.919 ( 0.367 -5.210 -2.351) 5.727 19.213 ( -0.765 1.505 1.783) 2.456 19.247 ( 0.153 -1.363 -1.460) 2.004 19.392 ( -1.315 -1.449 1.586) 2.519 19.430 ( 1.610 -4.788 -1.882) 5.390 21.082 ( 0.216 4.379 2.773) 5.188 21.114 ( 1.329 2.740 0.225) 3.053 21.155 ( -0.776 -0.180 1.441) 1.646 21.179 ( -0.401 -1.068 -0.392) 1.206 25.038 ( -0.488 0.009 -0.260) 0.553 25.042 ( -0.405 -0.412 -0.643) 0.865 25.434 ( 0.108 1.278 -0.135) 1.290 25.455 ( -1.209 -0.892 -2.113) 2.592 26.013 ( 0.889 1.796 3.626) 4.143 26.031 ( 1.057 -0.145 3.152) 3.328 26.085 ( -0.904 1.107 -2.957) 3.284 26.096 ( -1.315 -0.158 -2.729) 3.033 26.623 ( 1.486 0.431 -1.672) 2.279 26.639 ( 0.851 -1.169 -3.356) 3.654 27.007 ( 0.713 -1.307 -1.321) 1.990 27.012 ( -1.613 -1.865 -1.914) 3.121 27.311 ( -1.457 -0.253 0.561) 1.581 27.315 ( 0.731 -0.720 0.178) 1.041 27.483 ( -0.635 0.397 2.207) 2.330 27.488 ( -0.061 -0.126 1.673) 1.679 27.707 ( -2.986 6.084 1.799) 7.012 27.750 ( -0.245 3.974 -1.231) 4.167 27.799 ( -4.335 -2.580 -1.033) 5.149 27.828 ( 4.658 -3.047 -1.923) 5.889 28.164 ( -0.161 3.795 4.763) 6.092 28.224 ( 0.831 -2.027 2.253) 3.143 28.265 ( 0.934 2.034 -1.934) 2.957 28.305 ( 0.534 -1.754 -2.118) 2.801 28.427 ( 0.428 4.967 5.611) 7.506 28.486 ( -0.080 0.960 1.480) 1.765 28.526 ( -3.757 -0.516 2.946) 4.802 28.561 ( 3.575 -3.140 0.100) 4.759 28.710 ( 0.783 1.504 0.362) 1.734 28.800 ( -1.312 -7.067 -6.300) 9.558 29.274 ( 0.813 8.704 5.647) 10.407 29.394 ( 2.249 -3.254 -5.365) 6.666 29.802 ( 0.599 3.174 1.920) 3.758 29.846 ( -1.121 0.038 -1.814) 2.132 30.061 ( -3.694 -0.275 3.226) 4.912 30.101 ( 3.285 -3.295 -0.614) 4.694 30.561 ( -0.942 -0.531 7.017) 7.100 30.641 ( -2.083 -8.438 -0.664) 8.717 31.212 ( 0.448 3.373 -4.527) 5.664 31.250 ( 3.181 -0.944 -7.693) 8.378 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -14.099 6.158 5.113) 16.212 1.805 ( -19.877 2.540 -14.382) 24.666 1.892 ( -11.654 1.775 0.884) 11.821 1.952 ( -15.871 -3.306 -11.979) 20.157 2.064 ( -1.964 4.052 -2.596) 5.198 2.148 ( 6.156 2.016 -3.451) 7.340 2.277 ( -2.425 -2.546 0.027) 3.516 2.396 ( 2.485 -5.816 -4.927) 8.017 2.448 ( 0.149 3.630 -3.390) 4.969 2.535 ( 2.762 -3.419 -9.760) 10.704 2.642 ( -2.221 -0.735 -0.212) 2.350 2.701 ( 1.088 -3.854 -1.602) 4.313 2.758 ( 5.466 3.230 2.796) 6.938 2.817 ( 4.691 -2.660 5.310) 7.568 2.957 ( 2.070 4.770 -1.970) 5.560 3.010 ( 3.725 -0.630 -0.681) 3.839 3.072 ( -5.385 0.986 5.474) 7.741 3.087 ( -6.721 0.492 4.674) 8.202 3.248 ( -3.911 3.417 3.019) 6.007 3.328 ( -5.397 -4.634 1.379) 7.246 3.476 ( -12.186 8.435 -1.441) 14.891 3.598 ( -1.097 2.403 -2.879) 3.907 3.632 ( 0.497 6.334 -0.119) 6.354 3.749 ( -2.504 5.340 2.394) 6.365 3.811 ( 2.173 -5.092 -5.320) 7.677 3.841 ( -1.526 -1.271 0.089) 1.988 3.866 ( -1.819 2.166 1.372) 3.144 3.893 ( -2.024 -0.192 1.618) 2.598 4.016 ( 2.860 4.725 2.486) 6.057 4.027 ( -1.735 1.654 -2.602) 3.538 4.080 ( 1.712 -2.215 0.183) 2.805 4.159 ( 4.361 -8.043 1.339) 9.246 4.221 ( 3.575 4.220 8.125) 9.829 4.287 ( -2.019 -2.523 -0.507) 3.270 4.316 ( 1.571 0.608 3.583) 3.959 4.373 ( -3.546 -4.935 0.960) 6.152 4.474 ( 3.722 4.221 2.363) 6.104 4.571 ( 2.146 -1.236 -1.219) 2.760 4.652 ( 2.681 5.065 2.680) 6.327 4.722 ( 6.336 -3.128 -0.837) 7.116 4.797 ( 2.651 -2.592 0.804) 3.794 4.818 ( 6.989 -5.460 -2.464) 9.205 4.954 ( -0.419 1.549 1.314) 2.074 5.007 ( -0.824 -1.250 0.360) 1.540 5.169 ( 1.468 3.114 -1.985) 3.974 5.241 ( 1.472 -3.198 -2.020) 4.059 5.275 ( 5.231 3.372 -1.431) 6.386 5.322 ( 3.142 -0.295 -0.397) 3.181 5.475 ( 1.153 1.745 -3.012) 3.667 5.492 ( -2.016 1.066 2.423) 3.328 5.543 ( 1.028 -0.849 0.956) 1.641 5.562 ( 1.791 -2.100 3.155) 4.192 5.595 ( 2.546 1.162 -2.418) 3.698 5.657 ( 3.415 -1.680 -0.200) 3.811 5.689 ( 2.106 -1.425 -1.714) 3.066 5.767 ( 3.714 -6.023 2.199) 7.410 6.046 ( -3.771 1.418 -0.875) 4.123 6.089 ( -2.142 -2.601 1.110) 3.548 6.111 ( -1.169 1.642 -4.923) 5.319 6.160 ( -2.253 -3.610 -1.416) 4.485 6.326 ( 3.520 0.870 5.344) 6.458 6.346 ( 1.897 -1.354 3.054) 3.842 6.454 ( 0.216 0.804 0.155) 0.847 6.465 ( 0.758 -0.178 -0.708) 1.052 6.795 ( 0.298 4.555 3.263) 5.611 6.809 ( 1.640 4.916 -2.781) 5.882 6.916 ( -1.793 -3.688 1.502) 4.367 6.967 ( 1.618 -7.462 -5.002) 9.128 7.282 ( -1.866 4.488 0.376) 4.875 7.333 ( 0.151 -0.313 0.061) 0.353 7.480 ( -1.952 3.234 -2.755) 4.676 7.513 ( 0.562 2.465 1.568) 2.975 7.537 ( 1.667 2.975 0.828) 3.510 7.599 ( 2.506 -2.938 -0.516) 3.896 7.710 ( 2.045 -5.025 1.344) 5.589 7.730 ( 3.158 -5.216 -2.239) 6.495 8.166 ( -0.288 4.152 1.519) 4.431 8.234 ( -0.306 -3.055 -0.765) 3.164 8.397 ( 1.940 6.650 0.065) 6.928 8.465 ( -0.629 -0.215 0.662) 0.938 8.498 ( 7.647 9.404 -2.328) 12.342 8.599 ( 5.294 0.814 -0.055) 5.357 8.721 ( -1.152 -3.610 0.494) 3.822 8.756 ( -0.516 -5.919 3.164) 6.731 8.891 ( 0.313 2.522 -2.263) 3.403 8.973 ( 2.386 -5.136 -2.204) 6.076 9.145 ( -0.913 5.812 -1.271) 6.019 9.196 ( 0.561 -0.581 1.083) 1.351 9.235 ( -4.470 1.090 3.389) 5.714 9.320 ( -1.026 -5.286 -1.874) 5.701 9.497 ( -3.304 3.428 1.941) 5.141 9.544 ( -0.529 -1.086 1.450) 1.887 9.618 ( -3.769 0.383 -3.284) 5.013 9.650 ( -2.591 -2.855 -1.178) 4.031 9.976 ( -0.807 -0.817 0.776) 1.386 9.985 ( -1.062 -1.621 3.634) 4.118 10.100 ( -4.332 7.117 -1.282) 8.430 10.216 ( -2.172 -3.024 0.298) 3.735 10.266 ( 1.016 3.860 -3.825) 5.528 10.354 ( 1.594 -3.561 -1.510) 4.184 10.506 ( 0.482 -2.015 0.533) 2.140 10.538 ( 2.869 -4.819 -1.765) 5.879 10.800 ( -3.497 1.643 0.100) 3.865 10.898 ( -0.678 -8.336 1.566) 8.509 11.053 ( -3.663 2.335 -5.766) 7.219 11.090 ( -3.463 -1.077 -3.892) 5.320 11.249 ( 3.921 5.508 4.529) 8.138 11.327 ( 5.619 -1.971 6.031) 8.475 11.912 ( -1.221 0.910 -0.728) 1.688 11.950 ( -0.257 -2.128 -0.928) 2.336 12.023 ( 0.589 4.518 2.437) 5.167 12.101 ( -0.621 -1.739 1.535) 2.401 12.119 ( 3.377 -0.892 1.485) 3.795 12.138 ( 3.131 -4.490 0.917) 5.550 12.337 ( -0.961 5.220 1.190) 5.439 12.428 ( 1.259 -1.954 0.768) 2.448 12.497 ( 1.172 4.341 -0.256) 4.504 12.539 ( 2.075 1.117 0.136) 2.361 12.597 ( 0.244 -1.010 -1.018) 1.454 12.645 ( 1.188 -6.423 0.340) 6.541 12.864 ( 0.123 1.937 0.964) 2.167 12.915 ( 3.335 -3.473 -1.615) 5.079 13.050 ( -0.588 1.766 0.620) 1.962 13.104 ( 2.038 -3.953 -1.371) 4.654 13.218 ( -2.742 3.704 3.041) 5.521 13.290 ( -4.007 -4.968 4.016) 7.541 13.333 ( 3.604 5.615 -0.758) 6.715 13.438 ( 2.459 -5.691 -0.204) 6.203 13.606 ( -1.582 1.143 -2.095) 2.863 13.630 ( 0.582 -1.464 -3.344) 3.697 13.729 ( -10.404 2.569 0.334) 10.722 13.776 ( -8.472 -2.660 -0.713) 8.909 13.929 ( -2.112 5.031 -0.273) 5.463 14.035 ( 1.387 -6.580 1.265) 6.843 14.320 ( 9.331 8.064 -0.022) 12.333 14.367 ( 8.205 3.330 -1.584) 8.996 14.539 ( 0.656 4.732 1.136) 4.910 14.559 ( 2.189 1.098 1.183) 2.720 14.841 ( -1.294 -1.922 1.382) 2.698 14.856 ( -0.614 -3.503 -2.762) 4.504 15.153 ( -0.900 4.389 -2.404) 5.084 15.244 ( 3.891 -4.796 -2.900) 6.823 15.388 ( -1.665 2.228 -0.971) 2.946 15.417 ( -0.039 -1.696 -0.811) 1.881 15.504 ( 2.813 2.305 0.329) 3.652 15.518 ( 4.051 0.667 0.856) 4.193 15.904 ( -2.717 11.777 1.223) 12.148 15.988 ( 1.826 7.442 3.042) 8.244 16.083 ( -1.424 -7.039 -0.211) 7.184 16.115 ( -0.146 -5.620 3.379) 6.559 16.299 ( -3.611 2.690 0.162) 4.506 16.339 ( -1.200 -1.271 -3.598) 4.000 16.634 ( -2.856 3.224 2.486) 4.972 16.716 ( 0.328 -4.802 -2.586) 5.464 16.877 ( -1.469 -3.190 -0.029) 3.513 16.892 ( -1.083 -3.980 0.119) 4.127 19.216 ( -0.578 1.850 1.353) 2.363 19.256 ( 1.685 -1.826 -0.048) 2.485 19.397 ( -0.238 -0.782 1.406) 1.627 19.449 ( 2.900 -5.638 -2.280) 6.738 21.044 ( -3.426 5.712 -0.562) 6.684 21.124 ( -1.835 -2.816 -1.617) 3.730 21.168 ( 1.743 2.366 0.832) 3.054 21.185 ( 0.194 0.557 0.691) 0.909 25.033 ( -0.462 -0.167 1.174) 1.273 25.036 ( -0.229 -0.456 0.667) 0.840 25.413 ( -2.089 1.645 0.052) 2.660 25.438 ( -0.985 -0.986 1.960) 2.405 26.035 ( -0.488 1.324 -3.519) 3.792 26.047 ( -0.492 0.013 -3.075) 3.114 26.073 ( 1.279 1.804 3.579) 4.207 26.093 ( 1.638 -0.556 3.510) 3.913 26.604 ( -1.094 -0.230 -2.721) 2.942 26.613 ( -1.179 -1.172 -1.279) 2.097 26.982 ( -0.112 2.266 0.722) 2.381 27.044 ( 2.551 -4.578 1.065) 5.348 27.275 ( -3.102 1.399 0.749) 3.485 27.314 ( -1.160 -2.640 0.651) 2.957 27.502 ( 1.360 2.167 0.246) 2.570 27.524 ( 1.005 -0.153 1.831) 2.094 27.614 ( -6.670 3.336 1.948) 7.708 27.672 ( -7.466 -2.781 -0.355) 7.975 27.817 ( 4.436 6.499 1.816) 8.076 27.914 ( 4.773 -4.410 0.545) 6.521 28.200 ( -0.572 2.292 1.900) 3.031 28.210 ( -0.236 3.811 -3.161) 4.956 28.253 ( -0.533 -1.460 -0.790) 1.743 28.300 ( 0.985 -2.711 -1.150) 3.105 28.404 ( -5.188 4.763 -0.992) 7.113 28.459 ( -0.776 1.392 2.158) 2.683 28.537 ( 1.511 2.215 -0.638) 2.756 28.628 ( 1.114 -7.586 -2.770) 8.152 28.766 ( 6.930 1.840 0.351) 7.178 28.837 ( 7.819 -5.551 2.152) 9.828 29.341 ( 1.781 4.510 -0.153) 4.851 29.381 ( 4.253 1.493 -5.571) 7.166 29.788 ( -2.857 2.479 -1.360) 4.020 29.828 ( -0.744 -0.206 2.276) 2.403 30.066 ( 0.772 4.769 2.355) 5.374 30.186 ( 6.761 -8.199 -1.372) 10.716 30.537 ( -6.948 -1.272 1.120) 7.152 30.605 ( -2.959 -7.807 3.566) 9.079 31.149 ( -3.694 5.168 -1.636) 6.560 31.221 ( 0.204 -2.607 -4.464) 5.174 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -19.485 13.307 -6.832) 24.564 1.481 ( -13.104 -8.988 -4.780) 16.593 1.634 ( -14.709 6.675 8.639) 18.318 1.770 ( -6.065 -4.308 -0.175) 7.441 2.028 ( -1.956 4.312 -0.211) 4.739 2.162 ( -0.560 -6.231 -2.967) 6.924 2.222 ( -0.607 3.893 -1.586) 4.247 2.306 ( -0.778 1.305 -6.973) 7.137 2.404 ( 3.049 2.753 -8.495) 9.436 2.494 ( 3.999 -7.041 -8.798) 11.958 2.608 ( -1.431 1.617 3.264) 3.914 2.687 ( -0.620 -7.011 2.565) 7.491 2.808 ( -4.238 7.206 -2.461) 8.714 2.898 ( 0.937 -1.464 -3.400) 3.819 2.915 ( -4.519 5.615 1.564) 7.375 2.988 ( -2.360 -1.694 2.598) 3.897 3.067 ( -2.815 2.589 3.219) 4.999 3.084 ( -1.148 0.512 3.392) 3.617 3.210 ( -4.800 7.339 6.835) 11.119 3.277 ( -3.166 0.533 3.994) 5.125 3.331 ( -2.517 1.750 -1.765) 3.537 3.510 ( -6.089 -12.297 -0.905) 13.751 3.634 ( -0.974 9.495 -1.161) 9.615 3.676 ( -3.678 7.521 -2.204) 8.657 3.760 ( -3.039 -1.471 -0.767) 3.462 3.834 ( 0.373 -0.171 -0.653) 0.772 3.879 ( -0.593 2.110 3.168) 3.852 3.927 ( 3.540 -3.555 2.684) 5.690 4.031 ( 2.358 1.514 2.406) 3.693 4.112 ( -0.222 -3.444 3.185) 4.697 4.139 ( 6.020 4.018 1.171) 7.332 4.226 ( 1.774 -4.453 1.195) 4.940 4.241 ( -1.779 1.009 2.292) 3.072 4.323 ( -1.794 -5.736 0.173) 6.013 4.366 ( 3.020 1.771 4.425) 5.642 4.427 ( 3.614 -3.531 2.883) 5.817 4.519 ( 0.107 5.811 -2.328) 6.261 4.590 ( 1.941 -0.140 -1.228) 2.301 4.724 ( 2.599 5.345 -1.375) 6.101 4.816 ( 1.999 -6.902 -0.776) 7.227 4.843 ( 3.206 -1.025 0.845) 3.470 4.879 ( 5.002 -1.746 -5.000) 7.285 4.979 ( 0.726 0.451 5.346) 5.414 5.006 ( -2.134 -0.989 3.223) 3.990 5.191 ( 2.635 1.403 -2.746) 4.056 5.217 ( 0.352 -0.492 -6.929) 6.955 5.338 ( 3.249 4.186 0.218) 5.304 5.376 ( 5.182 -0.392 0.458) 5.217 5.481 ( 1.467 2.731 -3.355) 4.568 5.528 ( 2.964 1.679 -5.654) 6.601 5.556 ( 2.683 -4.665 -0.850) 5.449 5.577 ( 2.821 -2.018 -5.960) 6.896 5.638 ( 1.578 -1.594 2.157) 3.112 5.670 ( 2.620 -5.138 -0.191) 5.771 5.799 ( 3.786 3.486 3.701) 6.339 5.861 ( 4.584 -2.358 1.994) 5.527 5.917 ( -6.073 1.989 -0.404) 6.403 5.993 ( -5.462 -5.056 -1.744) 7.645 6.112 ( 2.254 1.811 -2.043) 3.541 6.167 ( 1.031 -4.590 -1.032) 4.816 6.366 ( -0.808 1.722 0.276) 1.922 6.409 ( 0.720 -1.832 2.748) 3.380 6.454 ( 0.710 2.177 -1.223) 2.596 6.485 ( 1.109 -1.451 0.579) 1.916 6.803 ( 1.452 7.055 -1.595) 7.377 6.838 ( 0.403 4.811 3.200) 5.793 6.925 ( -0.865 -5.388 4.932) 7.356 6.940 ( 0.884 -6.549 -3.105) 7.301 7.271 ( 0.232 3.755 0.460) 3.791 7.315 ( -0.783 -0.952 -1.518) 1.955 7.423 ( -0.917 6.230 -3.114) 7.025 7.528 ( -0.851 -3.674 -0.533) 3.808 7.586 ( 2.288 2.756 2.552) 4.398 7.650 ( 0.955 -2.907 3.953) 4.999 7.757 ( 4.312 0.637 0.474) 4.384 7.809 ( 3.583 -2.766 2.170) 5.020 8.229 ( 5.779 -0.209 0.499) 5.805 8.239 ( 3.340 -0.899 -1.257) 3.680 8.432 ( 1.992 4.393 0.007) 4.823 8.458 ( -0.416 1.801 0.464) 1.905 8.609 ( 6.245 7.327 -1.664) 9.770 8.665 ( 0.027 1.234 2.846) 3.102 8.727 ( -0.165 -1.319 0.200) 1.344 8.776 ( 4.112 -4.686 -0.238) 6.239 8.897 ( 3.520 2.103 -4.203) 5.872 8.975 ( -0.605 -4.416 -1.260) 4.632 9.100 ( -1.069 5.924 -3.081) 6.763 9.148 ( -7.033 1.260 2.583) 7.597 9.215 ( -1.970 -1.879 -0.433) 2.757 9.271 ( -0.708 -7.551 -3.184) 8.225 9.459 ( -3.277 5.721 2.133) 6.930 9.536 ( -1.347 -0.711 -0.575) 1.628 9.554 ( -0.333 -4.378 -0.125) 4.392 9.581 ( -2.616 -4.088 -1.077) 4.971 9.957 ( -5.627 1.851 2.942) 6.614 9.973 ( -1.655 -0.226 -0.068) 1.671 10.031 ( -0.811 4.871 -1.507) 5.163 10.152 ( -2.973 -6.521 -1.738) 7.375 10.262 ( 2.130 5.793 -2.701) 6.737 10.348 ( -0.607 -3.560 -1.018) 3.753 10.530 ( 1.544 -1.009 0.666) 1.961 10.583 ( 3.637 -5.621 -0.514) 6.715 10.757 ( -2.165 4.620 1.651) 5.362 10.863 ( -4.171 -5.579 2.343) 7.349 10.967 ( -0.410 1.852 -3.848) 4.290 11.023 ( -0.313 -4.946 -3.245) 5.924 11.327 ( 1.112 6.483 0.074) 6.578 11.421 ( 0.094 -2.794 0.822) 2.914 11.909 ( -0.397 -0.485 2.548) 2.624 11.940 ( -1.506 -3.524 3.049) 4.897 12.082 ( 0.127 2.124 2.771) 3.494 12.094 ( 0.128 0.389 -1.237) 1.303 12.194 ( 5.301 3.648 2.564) 6.927 12.263 ( 6.313 -3.710 4.354) 8.519 12.360 ( 0.767 5.981 4.101) 7.293 12.451 ( -1.339 -1.134 3.877) 4.255 12.526 ( 3.273 2.412 -1.956) 4.512 12.559 ( 0.686 0.309 -1.933) 2.074 12.627 ( 3.012 -0.662 1.590) 3.470 12.676 ( 1.487 -5.789 0.526) 6.000 12.888 ( 1.716 4.348 -0.512) 4.702 12.982 ( 5.548 -4.577 0.157) 7.194 13.042 ( 0.290 2.220 -2.394) 3.277 13.107 ( -0.021 -3.820 -3.175) 4.968 13.187 ( -0.354 2.506 0.095) 2.533 13.233 ( -4.335 -3.277 1.755) 5.710 13.405 ( 1.943 1.057 0.154) 2.218 13.450 ( -4.000 -3.772 1.854) 5.802 13.513 ( -8.678 4.242 3.168) 10.165 13.565 ( -7.379 0.248 3.591) 8.210 13.644 ( 1.784 -1.875 -4.788) 5.443 13.661 ( 2.813 -1.955 -1.665) 3.808 13.950 ( 2.124 7.649 3.218) 8.566 14.101 ( 2.488 -9.111 3.007) 9.911 14.411 ( 2.994 8.655 -4.223) 10.085 14.451 ( 6.380 6.143 -3.781) 9.630 14.570 ( -0.268 3.328 2.283) 4.045 14.645 ( 3.573 -5.458 2.588) 7.018 14.795 ( -3.670 2.491 -2.542) 5.112 14.819 ( -0.107 -0.569 -2.378) 2.447 15.116 ( 0.708 6.849 -3.848) 7.888 15.275 ( 2.810 -7.739 -2.999) 8.762 15.358 ( 0.084 3.088 -1.739) 3.545 15.411 ( 1.197 -3.806 -1.942) 4.437 15.565 ( 3.382 3.857 0.983) 5.223 15.618 ( 6.150 -2.390 0.938) 6.664 15.859 ( -3.445 11.785 -0.780) 12.303 16.017 ( -3.336 -3.669 -4.251) 6.532 16.057 ( 1.249 3.715 3.661) 5.363 16.134 ( -0.942 -4.584 2.796) 5.451 16.238 ( -4.206 0.177 0.816) 4.288 16.286 ( -2.822 -4.312 1.157) 5.282 16.600 ( -1.128 3.964 -1.300) 4.321 16.677 ( -1.492 -5.028 -2.575) 5.843 16.837 ( -2.165 0.078 -1.431) 2.597 16.875 ( -1.473 -3.923 -0.493) 4.219 19.224 ( 0.298 3.484 0.455) 3.526 19.292 ( 1.721 -3.201 0.171) 3.638 19.393 ( -1.686 0.551 0.516) 1.847 19.470 ( 2.139 -6.779 -2.921) 7.685 20.988 ( -1.917 5.646 -0.484) 5.982 21.071 ( -1.335 -3.290 -1.927) 4.040 21.160 ( -2.282 3.351 -0.117) 4.056 21.206 ( 0.424 -1.091 0.805) 1.421 25.041 ( -0.471 0.101 1.765) 1.829 25.052 ( 0.397 -1.188 2.083) 2.430 25.384 ( -2.297 2.676 1.582) 3.865 25.439 ( -2.295 -3.310 3.424) 5.287 25.997 ( 0.075 1.948 -3.071) 3.637 26.015 ( 0.180 0.057 -2.407) 2.414 26.133 ( 1.812 1.912 2.607) 3.706 26.155 ( 1.701 -0.665 2.601) 3.178 26.546 ( -2.879 1.391 -1.039) 3.362 26.584 ( -1.329 -2.544 1.064) 3.061 27.013 ( 1.348 4.286 2.442) 5.114 27.101 ( 1.590 -5.208 1.847) 5.750 27.227 ( -3.353 2.024 0.990) 4.040 27.282 ( -3.908 -3.711 0.703) 5.435 27.500 ( -5.351 1.463 0.385) 5.560 27.504 ( -3.781 4.466 -0.130) 5.853 27.530 ( -2.009 -0.628 -1.204) 2.425 27.590 ( 0.999 -3.623 -0.970) 3.881 27.943 ( 4.070 2.580 4.751) 6.767 27.991 ( 1.811 -2.091 2.716) 3.877 28.143 ( -1.724 9.143 -5.702) 10.913 28.211 ( 1.494 1.998 -0.042) 2.495 28.263 ( 2.131 -2.617 0.052) 3.375 28.286 ( 1.399 3.371 -2.702) 4.541 28.367 ( -0.294 -0.343 1.101) 1.190 28.457 ( -1.694 2.112 0.810) 2.826 28.550 ( 3.605 -4.423 -2.439) 6.205 28.609 ( 1.577 -6.871 -2.099) 7.355 28.939 ( 10.568 3.682 2.127) 11.391 29.021 ( 9.940 -4.775 2.862) 11.393 29.337 ( 2.493 3.561 -5.462) 6.981 29.397 ( 2.263 -2.256 -5.550) 6.404 29.742 ( -2.766 6.310 2.343) 7.277 29.829 ( -1.832 -1.748 2.777) 3.758 30.107 ( 0.370 5.815 2.371) 6.290 30.242 ( -1.665 -10.119 -0.794) 10.286 30.445 ( 0.197 4.528 -2.001) 4.954 30.584 ( -2.163 -10.468 2.184) 10.910 31.055 ( -6.788 6.765 0.169) 9.585 31.155 ( -4.562 -4.069 -2.019) 6.438 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 8.969 13.033 25.340) 29.873 1.444 ( -0.742 4.591 10.601) 11.576 1.565 ( -3.604 -2.461 16.065) 16.647 1.717 ( 0.532 -6.455 3.360) 7.297 1.986 ( -0.590 0.812 -3.189) 3.343 2.089 ( -2.325 -6.937 -5.056) 8.893 2.260 ( 5.074 6.573 0.459) 8.316 2.337 ( 4.515 -0.408 4.545) 6.419 2.403 ( 4.672 3.568 -6.233) 8.568 2.504 ( 2.741 -7.383 -2.253) 8.192 2.639 ( -13.092 13.773 12.252) 22.610 2.675 ( 4.453 4.363 -0.121) 6.235 2.730 ( 0.024 -4.060 6.021) 7.262 2.829 ( -3.804 -5.615 -3.613) 7.685 2.913 ( 0.234 1.463 -0.601) 1.599 2.964 ( 1.024 -1.586 -0.464) 1.944 3.038 ( -3.289 2.766 2.266) 4.858 3.088 ( -1.938 -2.231 2.360) 3.782 3.198 ( -2.567 6.847 -1.341) 7.435 3.236 ( -2.807 3.395 -2.781) 5.209 3.303 ( -1.565 -1.143 1.298) 2.332 3.428 ( -2.378 -10.236 1.704) 10.646 3.583 ( -2.993 8.039 -1.854) 8.776 3.629 ( 1.465 3.305 1.394) 3.875 3.736 ( -3.905 0.088 5.077) 6.405 3.819 ( -1.229 -4.093 -1.066) 4.405 3.875 ( -1.839 6.340 1.672) 6.809 4.000 ( 2.870 -4.136 -2.272) 5.523 4.122 ( 4.021 2.077 1.616) 4.805 4.151 ( 2.362 0.688 3.145) 3.993 4.198 ( 1.489 2.049 -2.712) 3.711 4.211 ( -2.670 0.227 0.610) 2.749 4.238 ( -1.973 -2.003 -2.483) 3.751 4.298 ( -0.946 -5.148 -3.217) 6.144 4.422 ( 1.136 1.335 1.948) 2.620 4.454 ( 0.169 2.338 -1.702) 2.897 4.497 ( 0.196 -0.116 -3.737) 3.744 4.583 ( -0.587 -4.760 -3.774) 6.103 4.701 ( -1.050 3.837 -0.752) 4.049 4.791 ( -1.380 -4.952 0.742) 5.194 4.888 ( 1.152 0.645 -3.184) 3.447 4.910 ( 1.779 -2.214 -1.344) 3.142 5.012 ( 0.564 2.882 3.161) 4.315 5.058 ( 1.384 -1.329 3.224) 3.752 5.154 ( 0.518 3.123 -3.701) 4.870 5.194 ( 0.696 -2.346 -1.433) 2.835 5.407 ( 3.459 3.343 -2.437) 5.392 5.434 ( 0.507 5.106 -8.399) 9.842 5.461 ( 0.524 -0.979 -3.852) 4.009 5.470 ( 2.678 -0.550 -1.819) 3.284 5.557 ( 0.465 0.027 -1.524) 1.593 5.610 ( 0.979 -4.948 -0.660) 5.087 5.636 ( -1.604 -0.084 -2.160) 2.691 5.712 ( 2.629 -5.703 -4.046) 7.470 5.817 ( -3.259 2.306 1.872) 4.410 5.877 ( -2.189 -2.607 1.953) 3.925 5.919 ( 2.735 -1.219 -3.302) 4.458 5.954 ( 3.366 -3.138 -1.616) 4.878 6.114 ( -0.137 0.731 0.255) 0.786 6.157 ( -0.370 -3.965 -0.844) 4.071 6.355 ( 0.218 2.208 -1.761) 2.832 6.381 ( -2.093 0.040 -3.758) 4.302 6.484 ( 1.163 1.201 3.382) 3.773 6.501 ( 0.242 -1.009 1.962) 2.219 6.863 ( 3.061 4.211 4.729) 7.033 6.873 ( 1.193 1.348 2.520) 3.097 6.933 ( -3.038 -0.563 4.641) 5.575 6.993 ( 3.015 -4.660 3.164) 6.388 7.291 ( -0.163 1.967 -1.224) 2.323 7.301 ( 2.946 0.999 0.176) 3.116 7.389 ( 0.330 4.637 -2.786) 5.419 7.479 ( -2.322 -4.523 -2.248) 5.559 7.664 ( 2.453 1.646 3.612) 4.666 7.699 ( -0.287 -1.551 4.400) 4.674 7.832 ( 2.885 1.934 0.169) 3.477 7.863 ( 0.653 -0.406 0.841) 1.140 8.306 ( 6.050 2.635 -2.202) 6.957 8.343 ( 1.886 0.020 1.501) 2.410 8.466 ( 3.803 2.612 0.932) 4.707 8.506 ( 6.119 -1.448 1.086) 6.381 8.654 ( 0.082 0.320 -0.433) 0.545 8.683 ( 0.461 -2.227 0.932) 2.457 8.736 ( 2.293 8.087 -0.216) 8.409 8.856 ( 3.769 -3.837 -3.506) 6.420 8.879 ( -2.220 1.860 -0.302) 2.911 8.917 ( -6.264 -1.032 1.580) 6.542 9.069 ( 1.592 1.389 -3.661) 4.227 9.077 ( -2.781 0.321 1.457) 3.156 9.164 ( -0.311 -0.933 -1.712) 1.974 9.244 ( 1.736 -5.877 -4.694) 7.719 9.419 ( -3.646 5.500 1.317) 6.729 9.530 ( -1.173 -2.797 0.324) 3.050 9.537 ( -0.853 -3.896 0.074) 3.989 9.575 ( 1.710 -2.456 0.913) 3.129 9.882 ( -4.455 5.106 1.874) 7.031 9.947 ( -0.084 -1.487 -1.903) 2.417 10.019 ( -0.198 1.339 0.470) 1.433 10.093 ( -1.785 -5.858 -1.951) 6.428 10.287 ( 2.207 2.374 -0.001) 3.241 10.329 ( -1.218 -2.215 0.764) 2.640 10.566 ( 1.440 0.990 1.698) 2.437 10.639 ( 2.516 -5.191 0.613) 5.802 10.753 ( -1.111 1.668 2.003) 2.833 10.819 ( -3.630 -4.147 1.937) 5.841 10.983 ( 4.261 1.680 0.445) 4.602 11.021 ( 3.025 -2.708 -0.220) 4.066 11.291 ( -2.679 4.795 -3.716) 6.632 11.360 ( -4.748 -2.020 -2.933) 5.935 11.916 ( -0.895 -0.633 0.582) 1.241 11.934 ( -2.904 -2.099 2.659) 4.462 12.076 ( -1.305 -1.262 -0.271) 1.835 12.083 ( 0.425 -1.563 -1.957) 2.541 12.315 ( 4.136 6.736 3.217) 8.534 12.417 ( 4.814 -3.833 2.970) 6.833 12.437 ( 1.060 3.018 4.951) 5.894 12.463 ( -1.690 0.522 5.477) 5.756 12.546 ( 1.713 2.532 -0.832) 3.168 12.566 ( 2.929 1.935 -1.309) 3.746 12.678 ( 1.176 -2.007 -0.230) 2.338 12.709 ( 1.614 -4.528 0.688) 4.856 12.897 ( -2.308 8.692 0.995) 9.048 12.977 ( -2.052 2.884 -6.323) 7.246 13.039 ( -0.021 -3.515 -0.723) 3.589 13.098 ( 3.256 -5.791 1.104) 6.735 13.196 ( -1.773 0.081 0.881) 1.981 13.235 ( 3.299 -2.800 -1.871) 4.714 13.332 ( -4.961 1.662 1.919) 5.573 13.406 ( -2.431 -4.474 2.155) 5.529 13.515 ( 2.756 3.204 3.763) 5.659 13.563 ( 2.831 0.216 4.137) 5.017 13.656 ( 1.534 0.927 -2.286) 2.905 13.696 ( 2.063 -2.169 -3.374) 4.510 14.044 ( 2.371 5.873 7.215) 9.601 14.158 ( -0.158 -6.770 4.660) 8.221 14.402 ( 1.501 7.287 -4.629) 8.762 14.480 ( 2.212 2.675 -5.739) 6.707 14.548 ( -3.280 5.066 0.146) 6.037 14.685 ( -3.720 5.228 -4.102) 7.616 14.704 ( 1.060 -6.175 -0.098) 6.266 14.797 ( 0.676 -3.211 -3.875) 5.078 15.120 ( 3.861 9.137 -2.379) 10.201 15.278 ( 0.651 -5.280 -2.350) 5.816 15.358 ( 1.495 3.273 -1.216) 3.798 15.415 ( 1.237 -3.522 -2.191) 4.328 15.628 ( 2.616 5.449 0.392) 6.057 15.711 ( 2.357 -1.088 -1.185) 2.853 15.781 ( -1.348 3.809 -1.739) 4.399 15.876 ( -6.506 -3.402 -5.560) 9.210 16.109 ( -0.776 -0.474 4.337) 4.431 16.149 ( -1.605 -4.954 4.060) 6.603 16.187 ( -0.888 2.025 -0.344) 2.238 16.252 ( -2.855 -4.448 1.041) 5.387 16.584 ( 0.716 2.946 -0.829) 3.143 16.631 ( -1.432 -2.247 -1.203) 2.924 16.778 ( -1.802 1.482 -2.867) 3.697 16.814 ( -2.987 -1.982 -4.148) 5.482 19.221 ( -1.219 4.216 -0.645) 4.436 19.267 ( -2.304 1.538 -4.401) 5.200 19.385 ( -0.396 -1.816 3.068) 3.587 19.463 ( 0.776 -7.948 -2.628) 8.407 20.981 ( 0.780 5.464 0.914) 5.595 21.071 ( 2.497 -3.504 0.345) 4.317 21.107 ( -3.438 4.677 0.000) 5.804 21.203 ( -1.761 -4.574 0.760) 4.960 25.051 ( -0.441 0.959 1.901) 2.175 25.079 ( 0.359 -2.178 1.393) 2.610 25.366 ( -1.702 1.803 1.884) 3.114 25.419 ( -3.172 -4.157 2.122) 5.643 25.975 ( 0.390 2.713 -2.247) 3.544 26.000 ( 0.221 0.147 -2.054) 2.071 26.174 ( 0.519 0.951 1.044) 1.504 26.186 ( -0.222 -0.364 0.275) 0.507 26.538 ( 1.599 3.635 4.250) 5.817 26.606 ( 1.229 -3.662 3.794) 5.414 27.049 ( -0.803 3.054 1.124) 3.351 27.085 ( -3.597 -0.934 -1.732) 4.100 27.190 ( -5.065 0.384 1.893) 5.421 27.228 ( 0.670 -3.617 1.984) 4.180 27.398 ( -4.625 1.935 -1.242) 5.165 27.429 ( -2.043 -1.321 -3.346) 4.137 27.535 ( 1.611 4.750 0.358) 5.028 27.620 ( 1.401 -3.942 1.313) 4.384 27.894 ( -4.729 5.925 -4.663) 8.900 27.986 ( -3.330 -4.411 -3.178) 6.375 28.162 ( 2.824 5.800 1.362) 6.594 28.235 ( 0.486 2.511 -0.115) 2.561 28.297 ( 1.089 -4.413 0.076) 4.546 28.333 ( 2.797 -0.319 1.995) 3.451 28.373 ( 1.429 2.453 -0.982) 3.004 28.436 ( -0.799 3.699 0.688) 3.846 28.640 ( 5.532 -7.392 1.690) 9.386 28.665 ( 6.934 -6.034 -0.776) 9.224 29.148 ( 10.191 4.048 2.006) 11.148 29.217 ( 9.865 -2.811 0.867) 10.294 29.320 ( -1.556 1.580 -0.689) 2.322 29.356 ( 1.054 -1.924 -5.964) 6.355 29.744 ( -0.209 6.005 4.169) 7.313 29.828 ( -2.090 -2.708 3.886) 5.177 30.106 ( -4.093 2.993 4.349) 6.680 30.158 ( -4.972 -3.188 1.285) 6.045 30.507 ( 7.976 3.309 -2.711) 9.051 30.612 ( 5.165 -7.985 -0.545) 9.526 30.910 ( -9.338 6.081 -1.587) 11.256 31.012 ( -9.775 -4.759 -2.107) 11.074 =================== 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 3/40800 10.0 1990.783 1202.969 925.053 0.000 -5.020 0.000 3/40800 20.0 213.882 146.264 198.230 0.000 15.394 0.000 3/40800 30.0 74.179 50.919 76.146 0.000 6.664 0.000 3/40800 40.0 38.237 26.590 40.154 0.000 3.456 0.000 3/40800 50.0 24.096 16.997 25.446 0.000 2.124 0.000 3/40800 60.0 17.060 12.193 18.040 0.000 1.465 0.000 3/40800 70.0 13.004 9.401 13.753 0.000 1.093 0.000 3/40800 80.0 10.421 7.608 11.021 0.000 0.862 0.000 3/40800 90.0 8.657 6.373 9.153 0.000 0.706 0.000 3/40800 100.0 7.386 5.477 7.807 0.000 0.596 0.000 3/40800 110.0 6.433 4.800 6.798 0.000 0.514 0.000 3/40800 120.0 5.695 4.273 6.017 0.000 0.452 0.000 3/40800 130.0 5.109 3.851 5.396 0.000 0.403 0.000 3/40800 140.0 4.633 3.507 4.892 0.000 0.363 0.000 3/40800 150.0 4.239 3.221 4.474 0.000 0.330 0.000 3/40800 160.0 3.908 2.980 4.124 0.000 0.303 0.000 3/40800 170.0 3.626 2.774 3.825 0.000 0.280 0.000 3/40800 180.0 3.384 2.596 3.568 0.000 0.260 0.000 3/40800 190.0 3.173 2.440 3.345 0.000 0.243 0.000 3/40800 200.0 2.987 2.303 3.148 0.000 0.228 0.000 3/40800 210.0 2.823 2.181 2.974 0.000 0.214 0.000 3/40800 220.0 2.677 2.072 2.819 0.000 0.202 0.000 3/40800 230.0 2.546 1.974 2.680 0.000 0.192 0.000 3/40800 240.0 2.428 1.886 2.555 0.000 0.182 0.000 3/40800 250.0 2.320 1.805 2.441 0.000 0.173 0.000 3/40800 260.0 2.223 1.732 2.338 0.000 0.165 0.000 3/40800 270.0 2.133 1.664 2.243 0.000 0.158 0.000 3/40800 280.0 2.051 1.602 2.156 0.000 0.152 0.000 3/40800 290.0 1.975 1.545 2.076 0.000 0.145 0.000 3/40800 300.0 1.905 1.491 2.001 0.000 0.140 0.000 3/40800 310.0 1.840 1.442 1.932 0.000 0.135 0.000 3/40800 320.0 1.780 1.396 1.868 0.000 0.130 0.000 3/40800 330.0 1.723 1.353 1.808 0.000 0.125 0.000 3/40800 340.0 1.670 1.312 1.752 0.000 0.121 0.000 3/40800 350.0 1.621 1.274 1.700 0.000 0.117 0.000 3/40800 360.0 1.574 1.239 1.651 0.000 0.113 0.000 3/40800 370.0 1.530 1.205 1.604 0.000 0.110 0.000 3/40800 380.0 1.489 1.173 1.560 0.000 0.107 0.000 3/40800 390.0 1.450 1.143 1.519 0.000 0.103 0.000 3/40800 400.0 1.413 1.114 1.480 0.000 0.101 0.000 3/40800 410.0 1.378 1.087 1.443 0.000 0.098 0.000 3/40800 420.0 1.344 1.061 1.407 0.000 0.095 0.000 3/40800 430.0 1.313 1.037 1.374 0.000 0.093 0.000 3/40800 440.0 1.282 1.013 1.342 0.000 0.090 0.000 3/40800 450.0 1.254 0.991 1.311 0.000 0.088 0.000 3/40800 460.0 1.226 0.970 1.282 0.000 0.086 0.000 3/40800 470.0 1.200 0.949 1.255 0.000 0.084 0.000 3/40800 480.0 1.175 0.930 1.228 0.000 0.082 0.000 3/40800 490.0 1.151 0.911 1.203 0.000 0.080 0.000 3/40800 500.0 1.127 0.893 1.178 0.000 0.078 0.000 3/40800 510.0 1.105 0.875 1.155 0.000 0.077 0.000 3/40800 520.0 1.084 0.859 1.132 0.000 0.075 0.000 3/40800 530.0 1.064 0.843 1.111 0.000 0.074 0.000 3/40800 540.0 1.044 0.827 1.090 0.000 0.072 0.000 3/40800 550.0 1.025 0.813 1.070 0.000 0.071 0.000 3/40800 560.0 1.007 0.798 1.051 0.000 0.069 0.000 3/40800 570.0 0.989 0.784 1.032 0.000 0.068 0.000 3/40800 580.0 0.972 0.771 1.014 0.000 0.067 0.000 3/40800 590.0 0.955 0.758 0.997 0.000 0.065 0.000 3/40800 600.0 0.940 0.746 0.980 0.000 0.064 0.000 3/40800 610.0 0.924 0.734 0.964 0.000 0.063 0.000 3/40800 620.0 0.909 0.722 0.949 0.000 0.062 0.000 3/40800 630.0 0.895 0.711 0.934 0.000 0.061 0.000 3/40800 640.0 0.881 0.700 0.919 0.000 0.060 0.000 3/40800 650.0 0.868 0.689 0.905 0.000 0.059 0.000 3/40800 660.0 0.854 0.679 0.891 0.000 0.058 0.000 3/40800 670.0 0.842 0.669 0.878 0.000 0.057 0.000 3/40800 680.0 0.829 0.659 0.865 0.000 0.056 0.000 3/40800 690.0 0.818 0.650 0.852 0.000 0.055 0.000 3/40800 700.0 0.806 0.641 0.840 0.000 0.054 0.000 3/40800 710.0 0.795 0.632 0.828 0.000 0.054 0.000 3/40800 720.0 0.784 0.623 0.817 0.000 0.053 0.000 3/40800 730.0 0.773 0.615 0.805 0.000 0.052 0.000 3/40800 740.0 0.763 0.606 0.795 0.000 0.051 0.000 3/40800 750.0 0.752 0.598 0.784 0.000 0.051 0.000 3/40800 760.0 0.743 0.591 0.774 0.000 0.050 0.000 3/40800 770.0 0.733 0.583 0.764 0.000 0.049 0.000 3/40800 780.0 0.724 0.576 0.754 0.000 0.049 0.000 3/40800 790.0 0.715 0.569 0.744 0.000 0.048 0.000 3/40800 800.0 0.706 0.562 0.735 0.000 0.047 0.000 3/40800 810.0 0.697 0.555 0.726 0.000 0.047 0.000 3/40800 820.0 0.689 0.548 0.717 0.000 0.046 0.000 3/40800 830.0 0.680 0.541 0.708 0.000 0.045 0.000 3/40800 840.0 0.672 0.535 0.700 0.000 0.045 0.000 3/40800 850.0 0.664 0.529 0.692 0.000 0.044 0.000 3/40800 860.0 0.657 0.523 0.684 0.000 0.044 0.000 3/40800 870.0 0.649 0.517 0.676 0.000 0.043 0.000 3/40800 880.0 0.642 0.511 0.668 0.000 0.043 0.000 3/40800 890.0 0.635 0.505 0.661 0.000 0.042 0.000 3/40800 900.0 0.628 0.500 0.653 0.000 0.042 0.000 3/40800 910.0 0.621 0.494 0.646 0.000 0.041 0.000 3/40800 920.0 0.614 0.489 0.639 0.000 0.041 0.000 3/40800 930.0 0.608 0.484 0.632 0.000 0.040 0.000 3/40800 940.0 0.601 0.479 0.626 0.000 0.040 0.000 3/40800 950.0 0.595 0.474 0.619 0.000 0.039 0.000 3/40800 960.0 0.589 0.469 0.613 0.000 0.039 0.000 3/40800 970.0 0.583 0.464 0.606 0.000 0.039 0.000 3/40800 980.0 0.577 0.459 0.600 0.000 0.038 0.000 3/40800 990.0 0.571 0.455 0.594 0.000 0.038 0.000 3/40800 1000.0 0.565 0.450 0.588 0.000 0.037 0.000 3/40800 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:48:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|