----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:51:34]------------------------- 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: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187490799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): *1 F 0.20840932822813 0.72132781273144 0.37727085101282 18.998 2 F 0.70840932822813 0.77867218726856 0.62272914898718 18.998 3 F 0.29159067177187 0.77867218726856 0.87727085101282 18.998 4 F 0.79159067177187 0.72132781273144 0.12272914898718 18.998 5 F 0.79159067177187 0.27867218726856 0.62272914898718 18.998 6 F 0.29159067177187 0.22132781273144 0.37727085101282 18.998 7 F 0.70840932822813 0.22132781273144 0.12272914898718 18.998 8 F 0.20840932822813 0.27867218726856 0.87727085101282 18.998 *9 F 0.31581766159106 0.00164150749067 0.48176099066135 18.998 10 F 0.81581766159106 0.49835849250933 0.51823900933865 18.998 11 F 0.18418233840894 0.49835849250933 0.98176099066135 18.998 12 F 0.68418233840894 0.00164150749067 0.01823900933865 18.998 13 F 0.68418233840894 0.99835849250933 0.51823900933865 18.998 14 F 0.18418233840894 0.50164150749067 0.48176099066135 18.998 15 F 0.81581766159106 0.50164150749067 0.01823900933865 18.998 16 F 0.31581766159106 0.99835849250933 0.98176099066135 18.998 *17 F 0.48228882319679 0.83835604095259 0.38170613924677 18.998 *18 F 0.02058431334379 0.88429417486107 0.47507805728409 18.998 19 F 0.98228882319679 0.66164395904741 0.61829386075323 18.998 20 F 0.51771117680321 0.83835604095259 0.11829386075323 18.998 21 F 0.51771117680321 0.16164395904741 0.61829386075323 18.998 22 F 0.01771117680321 0.33835604095259 0.38170613924677 18.998 23 F 0.98228882319679 0.33835604095259 0.11829386075323 18.998 24 F 0.48228882319679 0.16164395904741 0.88170613924677 18.998 *25 F 0.29048409656326 0.42536003846903 0.26344329226108 18.998 26 F 0.79048409656326 0.07463996153097 0.73655670773892 18.998 27 F 0.20951590343674 0.07463996153097 0.76344329226108 18.998 28 F 0.70951590343674 0.42536003846903 0.23655670773892 18.998 29 F 0.70951590343674 0.57463996153097 0.73655670773892 18.998 30 F 0.20951590343674 0.92536003846903 0.26344329226108 18.998 31 F 0.79048409656326 0.92536003846903 0.23655670773892 18.998 32 F 0.29048409656326 0.57463996153097 0.76344329226108 18.998 *33 F 0.28788820843008 0.18574247460851 0.09787303643438 18.998 34 F 0.78788820843008 0.31425752539149 0.90212696356562 18.998 35 F 0.21211179156992 0.31425752539149 0.59787303643438 18.998 36 F 0.71211179156992 0.18574247460851 0.40212696356562 18.998 37 F 0.71211179156992 0.81425752539149 0.90212696356562 18.998 38 F 0.21211179156992 0.68574247460851 0.09787303643438 18.998 39 F 0.78788820843008 0.68574247460851 0.40212696356562 18.998 40 F 0.28788820843008 0.81425752539149 0.59787303643438 18.998 41 F 0.02058431334379 0.11570582513893 0.97507805728409 18.998 42 F 0.52058431334379 0.38429417486107 0.02492194271591 18.998 43 F 0.47941568665621 0.38429417486107 0.47507805728409 18.998 44 F 0.97941568665621 0.11570582513893 0.52492194271591 18.998 45 F 0.97941568665621 0.88429417486107 0.02492194271591 18.998 46 F 0.47941568665621 0.61570582513893 0.97507805728409 18.998 47 F 0.52058431334379 0.61570582513893 0.52492194271591 18.998 48 F 0.01771117680321 0.66164395904741 0.88170613924677 18.998 *49 Na 0.25567168479633 0.64237988314869 0.57580131388728 22.990 50 Na 0.75567168479633 0.85762011685131 0.42419868611272 22.990 51 Na 0.24432831520367 0.85762011685131 0.07580131388728 22.990 52 Na 0.74432831520367 0.64237988314869 0.92419868611272 22.990 53 Na 0.74432831520367 0.35762011685131 0.42419868611272 22.990 54 Na 0.24432831520367 0.14237988314869 0.57580131388728 22.990 55 Na 0.75567168479633 0.14237988314869 0.92419868611272 22.990 56 Na 0.25567168479633 0.35762011685131 0.07580131388728 22.990 *57 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 58 Rb 0.50000000000000 0.92974791888425 0.75000000000000 85.468 59 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 60 Rb 0.50000000000000 0.07025208111575 0.25000000000000 85.468 *61 Rb 0.50000000000000 0.63286048511808 0.25000000000000 85.468 62 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 63 Rb 0.50000000000000 0.36713951488192 0.75000000000000 85.468 64 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 *65 Sn 0.25132397131573 0.13570556080095 0.92708436312094 118.710 66 Sn 0.75132397131573 0.36429443919904 0.07291563687906 118.710 67 Sn 0.24867602868427 0.36429443919904 0.42708436312094 118.710 68 Sn 0.74867602868427 0.13570556080095 0.57291563687906 118.710 69 Sn 0.74867602868427 0.86429443919905 0.07291563687906 118.710 70 Sn 0.24867602868427 0.63570556080095 0.92708436312094 118.710 71 Sn 0.75132397131573 0.63570556080095 0.57291563687906 118.710 72 Sn 0.25132397131573 0.86429443919905 0.42708436312094 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.187490799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): *1 F 0.20840932822813 0.72132781273144 0.37727085101282 18.998 > 1 2 F 0.70840932822813 0.77867218726856 0.62272914898718 18.998 > 2 3 F 0.29159067177187 0.77867218726856 0.87727085101282 18.998 > 3 4 F 0.79159067177187 0.72132781273144 0.12272914898718 18.998 > 4 5 F 0.79159067177187 0.27867218726856 0.62272914898718 18.998 > 5 6 F 0.29159067177187 0.22132781273144 0.37727085101282 18.998 > 6 7 F 0.70840932822813 0.22132781273144 0.12272914898718 18.998 > 7 8 F 0.20840932822813 0.27867218726856 0.87727085101282 18.998 > 8 *9 F 0.31581766159106 0.00164150749067 0.48176099066135 18.998 > 9 10 F 0.81581766159106 0.49835849250933 0.51823900933865 18.998 > 10 11 F 0.18418233840894 0.49835849250933 0.98176099066135 18.998 > 11 12 F 0.68418233840894 0.00164150749067 0.01823900933865 18.998 > 12 13 F 0.68418233840894 0.99835849250933 0.51823900933865 18.998 > 13 14 F 0.18418233840894 0.50164150749067 0.48176099066135 18.998 > 14 15 F 0.81581766159106 0.50164150749067 0.01823900933865 18.998 > 15 16 F 0.31581766159106 0.99835849250933 0.98176099066135 18.998 > 16 *17 F 0.48228882319679 0.83835604095259 0.38170613924677 18.998 > 17 *18 F 0.02058431334379 0.88429417486107 0.47507805728409 18.998 > 18 19 F 0.98228882319679 0.66164395904741 0.61829386075323 18.998 > 19 20 F 0.51771117680321 0.83835604095259 0.11829386075323 18.998 > 20 21 F 0.51771117680321 0.16164395904741 0.61829386075323 18.998 > 21 22 F 0.01771117680321 0.33835604095259 0.38170613924677 18.998 > 22 23 F 0.98228882319679 0.33835604095259 0.11829386075323 18.998 > 23 24 F 0.48228882319679 0.16164395904741 0.88170613924677 18.998 > 24 *25 F 0.29048409656326 0.42536003846903 0.26344329226108 18.998 > 25 26 F 0.79048409656326 0.07463996153097 0.73655670773892 18.998 > 26 27 F 0.20951590343674 0.07463996153097 0.76344329226108 18.998 > 27 28 F 0.70951590343674 0.42536003846903 0.23655670773892 18.998 > 28 29 F 0.70951590343674 0.57463996153097 0.73655670773892 18.998 > 29 30 F 0.20951590343674 0.92536003846903 0.26344329226108 18.998 > 30 31 F 0.79048409656326 0.92536003846903 0.23655670773892 18.998 > 31 32 F 0.29048409656326 0.57463996153097 0.76344329226108 18.998 > 32 *33 F 0.28788820843008 0.18574247460851 0.09787303643438 18.998 > 33 34 F 0.78788820843008 0.31425752539149 0.90212696356562 18.998 > 34 35 F 0.21211179156992 0.31425752539149 0.59787303643438 18.998 > 35 36 F 0.71211179156992 0.18574247460851 0.40212696356562 18.998 > 36 37 F 0.71211179156992 0.81425752539149 0.90212696356562 18.998 > 37 38 F 0.21211179156992 0.68574247460851 0.09787303643438 18.998 > 38 39 F 0.78788820843008 0.68574247460851 0.40212696356562 18.998 > 39 40 F 0.28788820843008 0.81425752539149 0.59787303643438 18.998 > 40 41 F 0.02058431334379 0.11570582513893 0.97507805728409 18.998 > 41 42 F 0.52058431334379 0.38429417486107 0.02492194271591 18.998 > 42 43 F 0.47941568665621 0.38429417486107 0.47507805728409 18.998 > 43 44 F 0.97941568665621 0.11570582513893 0.52492194271591 18.998 > 44 45 F 0.97941568665621 0.88429417486107 0.02492194271591 18.998 > 45 46 F 0.47941568665621 0.61570582513893 0.97507805728409 18.998 > 46 47 F 0.52058431334379 0.61570582513893 0.52492194271591 18.998 > 47 48 F 0.01771117680321 0.66164395904741 0.88170613924677 18.998 > 48 *49 Na 0.25567168479633 0.64237988314869 0.57580131388728 22.990 > 49 50 Na 0.75567168479633 0.85762011685131 0.42419868611272 22.990 > 50 51 Na 0.24432831520367 0.85762011685131 0.07580131388728 22.990 > 51 52 Na 0.74432831520367 0.64237988314869 0.92419868611272 22.990 > 52 53 Na 0.74432831520367 0.35762011685131 0.42419868611272 22.990 > 53 54 Na 0.24432831520367 0.14237988314869 0.57580131388728 22.990 > 54 55 Na 0.75567168479633 0.14237988314869 0.92419868611272 22.990 > 55 56 Na 0.25567168479633 0.35762011685131 0.07580131388728 22.990 > 56 *57 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 > 57 58 Rb 0.50000000000000 0.92974791888425 0.75000000000000 85.468 > 58 59 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 > 59 60 Rb 0.50000000000000 0.07025208111575 0.25000000000000 85.468 > 60 *61 Rb 0.50000000000000 0.63286048511808 0.25000000000000 85.468 > 61 62 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 > 62 63 Rb 0.50000000000000 0.36713951488192 0.75000000000000 85.468 > 63 64 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 > 64 *65 Sn 0.25132397131573 0.13570556080095 0.92708436312094 118.710 > 65 66 Sn 0.75132397131573 0.36429443919904 0.07291563687906 118.710 > 66 67 Sn 0.24867602868427 0.36429443919904 0.42708436312094 118.710 > 67 68 Sn 0.74867602868427 0.13570556080095 0.57291563687906 118.710 > 68 69 Sn 0.74867602868427 0.86429443919905 0.07291563687906 118.710 > 69 70 Sn 0.24867602868427 0.63570556080095 0.92708436312094 118.710 > 70 71 Sn 0.75132397131573 0.63570556080095 0.57291563687906 118.710 > 71 72 Sn 0.25132397131573 0.86429443919905 0.42708436312094 118.710 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.374981599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): *1 F 0.10420466411406 0.72132781273144 0.37727085101282 18.998 > 1 2 F 0.60420466411406 0.72132781273144 0.37727085101282 18.998 > 1 3 F 0.35420466411406 0.77867218726856 0.62272914898718 18.998 > 2 4 F 0.85420466411406 0.77867218726856 0.62272914898718 18.998 > 2 5 F 0.14579533588594 0.77867218726856 0.87727085101282 18.998 > 3 6 F 0.64579533588594 0.77867218726856 0.87727085101282 18.998 > 3 7 F 0.39579533588594 0.72132781273144 0.12272914898718 18.998 > 4 8 F 0.89579533588594 0.72132781273144 0.12272914898718 18.998 > 4 9 F 0.39579533588594 0.27867218726856 0.62272914898718 18.998 > 5 10 F 0.89579533588594 0.27867218726856 0.62272914898718 18.998 > 5 11 F 0.14579533588594 0.22132781273144 0.37727085101282 18.998 > 6 12 F 0.64579533588594 0.22132781273144 0.37727085101282 18.998 > 6 13 F 0.35420466411406 0.22132781273144 0.12272914898718 18.998 > 7 14 F 0.85420466411406 0.22132781273144 0.12272914898718 18.998 > 7 15 F 0.10420466411406 0.27867218726856 0.87727085101282 18.998 > 8 16 F 0.60420466411406 0.27867218726856 0.87727085101282 18.998 > 8 *17 F 0.15790883079553 0.00164150749067 0.48176099066135 18.998 > 9 18 F 0.65790883079553 0.00164150749067 0.48176099066135 18.998 > 9 19 F 0.40790883079553 0.49835849250933 0.51823900933865 18.998 > 10 20 F 0.90790883079553 0.49835849250933 0.51823900933865 18.998 > 10 21 F 0.09209116920447 0.49835849250933 0.98176099066135 18.998 > 11 22 F 0.59209116920447 0.49835849250933 0.98176099066135 18.998 > 11 23 F 0.34209116920447 0.00164150749067 0.01823900933865 18.998 > 12 24 F 0.84209116920447 0.00164150749067 0.01823900933865 18.998 > 12 25 F 0.34209116920447 0.99835849250933 0.51823900933865 18.998 > 13 26 F 0.84209116920447 0.99835849250933 0.51823900933865 18.998 > 13 27 F 0.09209116920447 0.50164150749067 0.48176099066135 18.998 > 14 28 F 0.59209116920447 0.50164150749067 0.48176099066135 18.998 > 14 29 F 0.40790883079553 0.50164150749067 0.01823900933865 18.998 > 15 30 F 0.90790883079553 0.50164150749067 0.01823900933865 18.998 > 15 31 F 0.15790883079553 0.99835849250933 0.98176099066135 18.998 > 16 32 F 0.65790883079553 0.99835849250933 0.98176099066135 18.998 > 16 *33 F 0.24114441159839 0.83835604095259 0.38170613924677 18.998 > 17 34 F 0.74114441159839 0.83835604095259 0.38170613924677 18.998 > 17 *35 F 0.01029215667190 0.88429417486107 0.47507805728409 18.998 > 18 36 F 0.51029215667190 0.88429417486107 0.47507805728409 18.998 > 18 37 F 0.49114441159839 0.66164395904741 0.61829386075323 18.998 > 19 38 F 0.99114441159839 0.66164395904741 0.61829386075323 18.998 > 19 39 F 0.25885558840161 0.83835604095259 0.11829386075323 18.998 > 20 40 F 0.75885558840161 0.83835604095259 0.11829386075323 18.998 > 20 41 F 0.25885558840161 0.16164395904741 0.61829386075323 18.998 > 21 42 F 0.75885558840161 0.16164395904741 0.61829386075323 18.998 > 21 43 F 0.00885558840161 0.33835604095259 0.38170613924677 18.998 > 22 44 F 0.50885558840161 0.33835604095259 0.38170613924677 18.998 > 22 45 F 0.49114441159839 0.33835604095259 0.11829386075323 18.998 > 23 46 F 0.99114441159839 0.33835604095259 0.11829386075323 18.998 > 23 47 F 0.24114441159839 0.16164395904741 0.88170613924677 18.998 > 24 48 F 0.74114441159839 0.16164395904741 0.88170613924677 18.998 > 24 *49 F 0.14524204828163 0.42536003846903 0.26344329226108 18.998 > 25 50 F 0.64524204828163 0.42536003846903 0.26344329226108 18.998 > 25 51 F 0.39524204828163 0.07463996153097 0.73655670773892 18.998 > 26 52 F 0.89524204828163 0.07463996153097 0.73655670773892 18.998 > 26 53 F 0.10475795171837 0.07463996153097 0.76344329226108 18.998 > 27 54 F 0.60475795171837 0.07463996153097 0.76344329226108 18.998 > 27 55 F 0.35475795171837 0.42536003846903 0.23655670773892 18.998 > 28 56 F 0.85475795171837 0.42536003846903 0.23655670773892 18.998 > 28 57 F 0.35475795171837 0.57463996153097 0.73655670773892 18.998 > 29 58 F 0.85475795171837 0.57463996153097 0.73655670773892 18.998 > 29 59 F 0.10475795171837 0.92536003846903 0.26344329226108 18.998 > 30 60 F 0.60475795171837 0.92536003846903 0.26344329226108 18.998 > 30 61 F 0.39524204828163 0.92536003846903 0.23655670773892 18.998 > 31 62 F 0.89524204828163 0.92536003846903 0.23655670773892 18.998 > 31 63 F 0.14524204828163 0.57463996153097 0.76344329226108 18.998 > 32 64 F 0.64524204828163 0.57463996153097 0.76344329226108 18.998 > 32 *65 F 0.14394410421504 0.18574247460851 0.09787303643438 18.998 > 33 66 F 0.64394410421504 0.18574247460851 0.09787303643438 18.998 > 33 67 F 0.39394410421504 0.31425752539149 0.90212696356562 18.998 > 34 68 F 0.89394410421504 0.31425752539149 0.90212696356562 18.998 > 34 69 F 0.10605589578496 0.31425752539149 0.59787303643438 18.998 > 35 70 F 0.60605589578496 0.31425752539149 0.59787303643438 18.998 > 35 71 F 0.35605589578496 0.18574247460851 0.40212696356562 18.998 > 36 72 F 0.85605589578496 0.18574247460851 0.40212696356562 18.998 > 36 73 F 0.35605589578496 0.81425752539149 0.90212696356562 18.998 > 37 74 F 0.85605589578496 0.81425752539149 0.90212696356562 18.998 > 37 75 F 0.10605589578496 0.68574247460851 0.09787303643438 18.998 > 38 76 F 0.60605589578496 0.68574247460851 0.09787303643438 18.998 > 38 77 F 0.39394410421504 0.68574247460851 0.40212696356562 18.998 > 39 78 F 0.89394410421504 0.68574247460851 0.40212696356562 18.998 > 39 79 F 0.14394410421504 0.81425752539149 0.59787303643438 18.998 > 40 80 F 0.64394410421504 0.81425752539149 0.59787303643438 18.998 > 40 81 F 0.01029215667190 0.11570582513893 0.97507805728409 18.998 > 41 82 F 0.51029215667190 0.11570582513893 0.97507805728409 18.998 > 41 83 F 0.26029215667190 0.38429417486107 0.02492194271591 18.998 > 42 84 F 0.76029215667190 0.38429417486107 0.02492194271591 18.998 > 42 85 F 0.23970784332810 0.38429417486107 0.47507805728409 18.998 > 43 86 F 0.73970784332810 0.38429417486107 0.47507805728409 18.998 > 43 87 F 0.48970784332810 0.11570582513893 0.52492194271591 18.998 > 44 88 F 0.98970784332810 0.11570582513893 0.52492194271591 18.998 > 44 89 F 0.48970784332810 0.88429417486107 0.02492194271591 18.998 > 45 90 F 0.98970784332810 0.88429417486107 0.02492194271591 18.998 > 45 91 F 0.23970784332810 0.61570582513893 0.97507805728409 18.998 > 46 92 F 0.73970784332810 0.61570582513893 0.97507805728409 18.998 > 46 93 F 0.26029215667190 0.61570582513893 0.52492194271591 18.998 > 47 94 F 0.76029215667190 0.61570582513893 0.52492194271591 18.998 > 47 95 F 0.00885558840161 0.66164395904741 0.88170613924677 18.998 > 48 96 F 0.50885558840161 0.66164395904741 0.88170613924677 18.998 > 48 *97 Na 0.12783584239816 0.64237988314869 0.57580131388728 22.990 > 49 98 Na 0.62783584239816 0.64237988314869 0.57580131388728 22.990 > 49 99 Na 0.37783584239816 0.85762011685131 0.42419868611272 22.990 > 50 100 Na 0.87783584239816 0.85762011685131 0.42419868611272 22.990 > 50 101 Na 0.12216415760184 0.85762011685131 0.07580131388728 22.990 > 51 102 Na 0.62216415760184 0.85762011685131 0.07580131388728 22.990 > 51 103 Na 0.37216415760184 0.64237988314869 0.92419868611272 22.990 > 52 104 Na 0.87216415760184 0.64237988314869 0.92419868611272 22.990 > 52 105 Na 0.37216415760184 0.35762011685131 0.42419868611272 22.990 > 53 106 Na 0.87216415760184 0.35762011685131 0.42419868611272 22.990 > 53 107 Na 0.12216415760184 0.14237988314869 0.57580131388728 22.990 > 54 108 Na 0.62216415760184 0.14237988314869 0.57580131388728 22.990 > 54 109 Na 0.37783584239816 0.14237988314869 0.92419868611272 22.990 > 55 110 Na 0.87783584239816 0.14237988314869 0.92419868611272 22.990 > 55 111 Na 0.12783584239816 0.35762011685131 0.07580131388728 22.990 > 56 112 Na 0.62783584239816 0.35762011685131 0.07580131388728 22.990 > 56 *113 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 > 57 114 Rb 0.50000000000000 0.57025208111575 0.25000000000000 85.468 > 57 115 Rb 0.25000000000000 0.92974791888425 0.75000000000000 85.468 > 58 116 Rb 0.75000000000000 0.92974791888425 0.75000000000000 85.468 > 58 117 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 > 59 118 Rb 0.50000000000000 0.42974791888425 0.75000000000000 85.468 > 59 119 Rb 0.25000000000000 0.07025208111575 0.25000000000000 85.468 > 60 120 Rb 0.75000000000000 0.07025208111575 0.25000000000000 85.468 > 60 *121 Rb 0.25000000000000 0.63286048511808 0.25000000000000 85.468 > 61 122 Rb 0.75000000000000 0.63286048511808 0.25000000000000 85.468 > 61 123 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 > 62 124 Rb 0.50000000000000 0.86713951488192 0.75000000000000 85.468 > 62 125 Rb 0.25000000000000 0.36713951488192 0.75000000000000 85.468 > 63 126 Rb 0.75000000000000 0.36713951488192 0.75000000000000 85.468 > 63 127 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 > 64 128 Rb 0.50000000000000 0.13286048511808 0.25000000000000 85.468 > 64 *129 Sn 0.12566198565787 0.13570556080095 0.92708436312094 118.710 > 65 130 Sn 0.62566198565787 0.13570556080095 0.92708436312094 118.710 > 65 131 Sn 0.37566198565787 0.36429443919904 0.07291563687906 118.710 > 66 132 Sn 0.87566198565787 0.36429443919904 0.07291563687906 118.710 > 66 133 Sn 0.12433801434213 0.36429443919904 0.42708436312094 118.710 > 67 134 Sn 0.62433801434213 0.36429443919904 0.42708436312094 118.710 > 67 135 Sn 0.37433801434213 0.13570556080095 0.57291563687906 118.710 > 68 136 Sn 0.87433801434213 0.13570556080095 0.57291563687906 118.710 > 68 137 Sn 0.37433801434213 0.86429443919905 0.07291563687906 118.710 > 69 138 Sn 0.87433801434213 0.86429443919905 0.07291563687906 118.710 > 69 139 Sn 0.12433801434213 0.63570556080095 0.92708436312094 118.710 > 70 140 Sn 0.62433801434213 0.63570556080095 0.92708436312094 118.710 > 70 141 Sn 0.37566198565787 0.63570556080095 0.57291563687906 118.710 > 71 142 Sn 0.87566198565787 0.63570556080095 0.57291563687906 118.710 > 71 143 Sn 0.12566198565787 0.86429443919905 0.42708436312094 118.710 > 72 144 Sn 0.62566198565787 0.86429443919905 0.42708436312094 118.710 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0255936 0.0000000 0.0000000 0.0000000 2.0414320 0.0000000 0.0000000 0.0000000 2.0380351 -------------------------- Born effective charges -------------------------- 1 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 2 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 3 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 4 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 5 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 6 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 7 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 8 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 9 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 10 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 11 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 12 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 13 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 14 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 15 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 16 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 17 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 18 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 19 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 20 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 21 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 22 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 23 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 24 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 25 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 26 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 27 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 28 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 29 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 30 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 31 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 32 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 33 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 34 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 35 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 36 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 37 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 38 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 39 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 40 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 41 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 42 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 43 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 44 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 45 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 46 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 47 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 48 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 49 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 50 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 51 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 52 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 53 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 54 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 55 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 56 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 57 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 58 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 59 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 60 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 61 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 62 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 63 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 64 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 65 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 66 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 67 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 68 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 69 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 70 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 71 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 72 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1304 / 1304 (1) 284 eigenvectors found. (1) Complementary block size: 60 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5916), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 234), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 31), data: (1288, 47) @ (47, 31) |-- (288, 272), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 237), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1284), data: False |-- (1304, 40), data: (1304, 60) @ (60, 40) |-- (304, 284), data: True |-- (500, 480), data: False |-- (500, 14), data: (500, 34) @ (34, 14) |-- (250, 230), data: True |-- (250, 236), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 1120 - Time: 3.419 Solver_block: 200 / 1120 - Time: 2.138 Solver_block: 300 / 1120 - Time: 2.095 Solver_block: 400 / 1120 - Time: 2.018 Solver_block: 500 / 1120 - Time: 2.402 Solver_block: 600 / 1120 - Time: 1.899 Solver_block: 700 / 1120 - Time: 1.800 Solver_block: 800 / 1120 - Time: 1.758 Solver_block: 900 / 1120 - Time: 1.923 Solver_block: 1000 / 1120 - Time: 2.083 Solver_block: 1100 / 1120 - Time: 2.282 Solver_block: 1120 / 1120 - Time: 0.610 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.348 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1304 / 1304 (1) 284 eigenvectors found. (1) Complementary block size: 60 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1288 / 1288 (1) 276 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5916), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 276), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 234), data: True |-- (250, 240), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 31), data: (1288, 47) @ (47, 31) |-- (288, 272), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 237), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1284), data: False |-- (1304, 40), data: (1304, 60) @ (60, 40) |-- (304, 284), data: True |-- (500, 480), data: False |-- (500, 14), data: (500, 34) @ (34, 14) |-- (250, 230), data: True |-- (250, 236), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:53:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:53:35]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187490799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): 1 F 0.20840932822813 0.72132781273144 0.37727085101282 18.998 2 F 0.70840932822813 0.77867218726856 0.62272914898718 18.998 3 F 0.29159067177187 0.77867218726856 0.87727085101282 18.998 4 F 0.79159067177187 0.72132781273144 0.12272914898718 18.998 5 F 0.79159067177187 0.27867218726856 0.62272914898718 18.998 6 F 0.29159067177187 0.22132781273144 0.37727085101282 18.998 7 F 0.70840932822813 0.22132781273144 0.12272914898718 18.998 8 F 0.20840932822813 0.27867218726856 0.87727085101282 18.998 9 F 0.31581766159106 0.00164150749067 0.48176099066135 18.998 10 F 0.81581766159106 0.49835849250933 0.51823900933865 18.998 11 F 0.18418233840894 0.49835849250933 0.98176099066135 18.998 12 F 0.68418233840894 0.00164150749067 0.01823900933865 18.998 13 F 0.68418233840894 0.99835849250933 0.51823900933865 18.998 14 F 0.18418233840894 0.50164150749067 0.48176099066135 18.998 15 F 0.81581766159106 0.50164150749067 0.01823900933865 18.998 16 F 0.31581766159106 0.99835849250933 0.98176099066135 18.998 17 F 0.48228882319679 0.83835604095259 0.38170613924677 18.998 18 F 0.02058431334379 0.88429417486107 0.47507805728409 18.998 19 F 0.98228882319679 0.66164395904741 0.61829386075323 18.998 20 F 0.51771117680321 0.83835604095259 0.11829386075323 18.998 21 F 0.51771117680321 0.16164395904741 0.61829386075323 18.998 22 F 0.01771117680321 0.33835604095259 0.38170613924677 18.998 23 F 0.98228882319679 0.33835604095259 0.11829386075323 18.998 24 F 0.48228882319679 0.16164395904741 0.88170613924677 18.998 25 F 0.29048409656326 0.42536003846903 0.26344329226108 18.998 26 F 0.79048409656326 0.07463996153097 0.73655670773892 18.998 27 F 0.20951590343674 0.07463996153097 0.76344329226108 18.998 28 F 0.70951590343674 0.42536003846903 0.23655670773892 18.998 29 F 0.70951590343674 0.57463996153097 0.73655670773892 18.998 30 F 0.20951590343674 0.92536003846903 0.26344329226108 18.998 31 F 0.79048409656326 0.92536003846903 0.23655670773892 18.998 32 F 0.29048409656326 0.57463996153097 0.76344329226108 18.998 33 F 0.28788820843008 0.18574247460851 0.09787303643438 18.998 34 F 0.78788820843008 0.31425752539149 0.90212696356562 18.998 35 F 0.21211179156992 0.31425752539149 0.59787303643438 18.998 36 F 0.71211179156992 0.18574247460851 0.40212696356562 18.998 37 F 0.71211179156992 0.81425752539149 0.90212696356562 18.998 38 F 0.21211179156992 0.68574247460851 0.09787303643438 18.998 39 F 0.78788820843008 0.68574247460851 0.40212696356562 18.998 40 F 0.28788820843008 0.81425752539149 0.59787303643438 18.998 41 F 0.02058431334379 0.11570582513893 0.97507805728409 18.998 42 F 0.52058431334379 0.38429417486107 0.02492194271591 18.998 43 F 0.47941568665621 0.38429417486107 0.47507805728409 18.998 44 F 0.97941568665621 0.11570582513893 0.52492194271591 18.998 45 F 0.97941568665621 0.88429417486107 0.02492194271591 18.998 46 F 0.47941568665621 0.61570582513893 0.97507805728409 18.998 47 F 0.52058431334379 0.61570582513893 0.52492194271591 18.998 48 F 0.01771117680321 0.66164395904741 0.88170613924677 18.998 49 Na 0.25567168479633 0.64237988314869 0.57580131388728 22.990 50 Na 0.75567168479633 0.85762011685131 0.42419868611272 22.990 51 Na 0.24432831520367 0.85762011685131 0.07580131388728 22.990 52 Na 0.74432831520367 0.64237988314869 0.92419868611272 22.990 53 Na 0.74432831520367 0.35762011685131 0.42419868611272 22.990 54 Na 0.24432831520367 0.14237988314869 0.57580131388728 22.990 55 Na 0.75567168479633 0.14237988314869 0.92419868611272 22.990 56 Na 0.25567168479633 0.35762011685131 0.07580131388728 22.990 57 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 58 Rb 0.50000000000000 0.92974791888425 0.75000000000000 85.468 59 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 60 Rb 0.50000000000000 0.07025208111575 0.25000000000000 85.468 61 Rb 0.50000000000000 0.63286048511808 0.25000000000000 85.468 62 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 63 Rb 0.50000000000000 0.36713951488192 0.75000000000000 85.468 64 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 65 Sn 0.25132397131573 0.13570556080095 0.92708436312094 118.710 66 Sn 0.75132397131573 0.36429443919904 0.07291563687906 118.710 67 Sn 0.24867602868427 0.36429443919904 0.42708436312094 118.710 68 Sn 0.74867602868427 0.13570556080095 0.57291563687906 118.710 69 Sn 0.74867602868427 0.86429443919905 0.07291563687906 118.710 70 Sn 0.24867602868427 0.63570556080095 0.92708436312094 118.710 71 Sn 0.75132397131573 0.63570556080095 0.57291563687906 118.710 72 Sn 0.25132397131573 0.86429443919905 0.42708436312094 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.374981599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): 1 F 0.10420466411406 0.72132781273144 0.37727085101282 18.998 > 1 2 F 0.60420466411406 0.72132781273144 0.37727085101282 18.998 > 1 3 F 0.35420466411406 0.77867218726856 0.62272914898718 18.998 > 3 4 F 0.85420466411406 0.77867218726856 0.62272914898718 18.998 > 3 5 F 0.14579533588594 0.77867218726856 0.87727085101282 18.998 > 5 6 F 0.64579533588594 0.77867218726856 0.87727085101282 18.998 > 5 7 F 0.39579533588594 0.72132781273144 0.12272914898718 18.998 > 7 8 F 0.89579533588594 0.72132781273144 0.12272914898718 18.998 > 7 9 F 0.39579533588594 0.27867218726856 0.62272914898718 18.998 > 9 10 F 0.89579533588594 0.27867218726856 0.62272914898718 18.998 > 9 11 F 0.14579533588594 0.22132781273144 0.37727085101282 18.998 > 11 12 F 0.64579533588594 0.22132781273144 0.37727085101282 18.998 > 11 13 F 0.35420466411406 0.22132781273144 0.12272914898718 18.998 > 13 14 F 0.85420466411406 0.22132781273144 0.12272914898718 18.998 > 13 15 F 0.10420466411406 0.27867218726856 0.87727085101282 18.998 > 15 16 F 0.60420466411406 0.27867218726856 0.87727085101282 18.998 > 15 17 F 0.15790883079553 0.00164150749067 0.48176099066135 18.998 > 17 18 F 0.65790883079553 0.00164150749067 0.48176099066135 18.998 > 17 19 F 0.40790883079553 0.49835849250933 0.51823900933865 18.998 > 19 20 F 0.90790883079553 0.49835849250933 0.51823900933865 18.998 > 19 21 F 0.09209116920447 0.49835849250933 0.98176099066135 18.998 > 21 22 F 0.59209116920447 0.49835849250933 0.98176099066135 18.998 > 21 23 F 0.34209116920447 0.00164150749067 0.01823900933865 18.998 > 23 24 F 0.84209116920447 0.00164150749067 0.01823900933865 18.998 > 23 25 F 0.34209116920447 0.99835849250933 0.51823900933865 18.998 > 25 26 F 0.84209116920447 0.99835849250933 0.51823900933865 18.998 > 25 27 F 0.09209116920447 0.50164150749067 0.48176099066135 18.998 > 27 28 F 0.59209116920447 0.50164150749067 0.48176099066135 18.998 > 27 29 F 0.40790883079553 0.50164150749067 0.01823900933865 18.998 > 29 30 F 0.90790883079553 0.50164150749067 0.01823900933865 18.998 > 29 31 F 0.15790883079553 0.99835849250933 0.98176099066135 18.998 > 31 32 F 0.65790883079553 0.99835849250933 0.98176099066135 18.998 > 31 33 F 0.24114441159839 0.83835604095259 0.38170613924677 18.998 > 33 34 F 0.74114441159839 0.83835604095259 0.38170613924677 18.998 > 33 35 F 0.01029215667190 0.88429417486107 0.47507805728409 18.998 > 35 36 F 0.51029215667190 0.88429417486107 0.47507805728409 18.998 > 35 37 F 0.49114441159839 0.66164395904741 0.61829386075323 18.998 > 37 38 F 0.99114441159839 0.66164395904741 0.61829386075323 18.998 > 37 39 F 0.25885558840161 0.83835604095259 0.11829386075323 18.998 > 39 40 F 0.75885558840161 0.83835604095259 0.11829386075323 18.998 > 39 41 F 0.25885558840161 0.16164395904741 0.61829386075323 18.998 > 41 42 F 0.75885558840161 0.16164395904741 0.61829386075323 18.998 > 41 43 F 0.00885558840161 0.33835604095259 0.38170613924677 18.998 > 43 44 F 0.50885558840161 0.33835604095259 0.38170613924677 18.998 > 43 45 F 0.49114441159839 0.33835604095259 0.11829386075323 18.998 > 45 46 F 0.99114441159839 0.33835604095259 0.11829386075323 18.998 > 45 47 F 0.24114441159839 0.16164395904741 0.88170613924677 18.998 > 47 48 F 0.74114441159839 0.16164395904741 0.88170613924677 18.998 > 47 49 F 0.14524204828163 0.42536003846903 0.26344329226108 18.998 > 49 50 F 0.64524204828163 0.42536003846903 0.26344329226108 18.998 > 49 51 F 0.39524204828163 0.07463996153097 0.73655670773892 18.998 > 51 52 F 0.89524204828163 0.07463996153097 0.73655670773892 18.998 > 51 53 F 0.10475795171837 0.07463996153097 0.76344329226108 18.998 > 53 54 F 0.60475795171837 0.07463996153097 0.76344329226108 18.998 > 53 55 F 0.35475795171837 0.42536003846903 0.23655670773892 18.998 > 55 56 F 0.85475795171837 0.42536003846903 0.23655670773892 18.998 > 55 57 F 0.35475795171837 0.57463996153097 0.73655670773892 18.998 > 57 58 F 0.85475795171837 0.57463996153097 0.73655670773892 18.998 > 57 59 F 0.10475795171837 0.92536003846903 0.26344329226108 18.998 > 59 60 F 0.60475795171837 0.92536003846903 0.26344329226108 18.998 > 59 61 F 0.39524204828163 0.92536003846903 0.23655670773892 18.998 > 61 62 F 0.89524204828163 0.92536003846903 0.23655670773892 18.998 > 61 63 F 0.14524204828163 0.57463996153097 0.76344329226108 18.998 > 63 64 F 0.64524204828163 0.57463996153097 0.76344329226108 18.998 > 63 65 F 0.14394410421504 0.18574247460851 0.09787303643438 18.998 > 65 66 F 0.64394410421504 0.18574247460851 0.09787303643438 18.998 > 65 67 F 0.39394410421504 0.31425752539149 0.90212696356562 18.998 > 67 68 F 0.89394410421504 0.31425752539149 0.90212696356562 18.998 > 67 69 F 0.10605589578496 0.31425752539149 0.59787303643438 18.998 > 69 70 F 0.60605589578496 0.31425752539149 0.59787303643438 18.998 > 69 71 F 0.35605589578496 0.18574247460851 0.40212696356562 18.998 > 71 72 F 0.85605589578496 0.18574247460851 0.40212696356562 18.998 > 71 73 F 0.35605589578496 0.81425752539149 0.90212696356562 18.998 > 73 74 F 0.85605589578496 0.81425752539149 0.90212696356562 18.998 > 73 75 F 0.10605589578496 0.68574247460851 0.09787303643438 18.998 > 75 76 F 0.60605589578496 0.68574247460851 0.09787303643438 18.998 > 75 77 F 0.39394410421504 0.68574247460851 0.40212696356562 18.998 > 77 78 F 0.89394410421504 0.68574247460851 0.40212696356562 18.998 > 77 79 F 0.14394410421504 0.81425752539149 0.59787303643438 18.998 > 79 80 F 0.64394410421504 0.81425752539149 0.59787303643438 18.998 > 79 81 F 0.01029215667190 0.11570582513893 0.97507805728409 18.998 > 81 82 F 0.51029215667190 0.11570582513893 0.97507805728409 18.998 > 81 83 F 0.26029215667190 0.38429417486107 0.02492194271591 18.998 > 83 84 F 0.76029215667190 0.38429417486107 0.02492194271591 18.998 > 83 85 F 0.23970784332810 0.38429417486107 0.47507805728409 18.998 > 85 86 F 0.73970784332810 0.38429417486107 0.47507805728409 18.998 > 85 87 F 0.48970784332810 0.11570582513893 0.52492194271591 18.998 > 87 88 F 0.98970784332810 0.11570582513893 0.52492194271591 18.998 > 87 89 F 0.48970784332810 0.88429417486107 0.02492194271591 18.998 > 89 90 F 0.98970784332810 0.88429417486107 0.02492194271591 18.998 > 89 91 F 0.23970784332810 0.61570582513893 0.97507805728409 18.998 > 91 92 F 0.73970784332810 0.61570582513893 0.97507805728409 18.998 > 91 93 F 0.26029215667190 0.61570582513893 0.52492194271591 18.998 > 93 94 F 0.76029215667190 0.61570582513893 0.52492194271591 18.998 > 93 95 F 0.00885558840161 0.66164395904741 0.88170613924677 18.998 > 95 96 F 0.50885558840161 0.66164395904741 0.88170613924677 18.998 > 95 97 Na 0.12783584239816 0.64237988314869 0.57580131388728 22.990 > 97 98 Na 0.62783584239816 0.64237988314869 0.57580131388728 22.990 > 97 99 Na 0.37783584239816 0.85762011685131 0.42419868611272 22.990 > 99 100 Na 0.87783584239816 0.85762011685131 0.42419868611272 22.990 > 99 101 Na 0.12216415760184 0.85762011685131 0.07580131388728 22.990 > 101 102 Na 0.62216415760184 0.85762011685131 0.07580131388728 22.990 > 101 103 Na 0.37216415760184 0.64237988314869 0.92419868611272 22.990 > 103 104 Na 0.87216415760184 0.64237988314869 0.92419868611272 22.990 > 103 105 Na 0.37216415760184 0.35762011685131 0.42419868611272 22.990 > 105 106 Na 0.87216415760184 0.35762011685131 0.42419868611272 22.990 > 105 107 Na 0.12216415760184 0.14237988314869 0.57580131388728 22.990 > 107 108 Na 0.62216415760184 0.14237988314869 0.57580131388728 22.990 > 107 109 Na 0.37783584239816 0.14237988314869 0.92419868611272 22.990 > 109 110 Na 0.87783584239816 0.14237988314869 0.92419868611272 22.990 > 109 111 Na 0.12783584239816 0.35762011685131 0.07580131388728 22.990 > 111 112 Na 0.62783584239816 0.35762011685131 0.07580131388728 22.990 > 111 113 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 > 113 114 Rb 0.50000000000000 0.57025208111575 0.25000000000000 85.468 > 113 115 Rb 0.25000000000000 0.92974791888425 0.75000000000000 85.468 > 115 116 Rb 0.75000000000000 0.92974791888425 0.75000000000000 85.468 > 115 117 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 > 117 118 Rb 0.50000000000000 0.42974791888425 0.75000000000000 85.468 > 117 119 Rb 0.25000000000000 0.07025208111575 0.25000000000000 85.468 > 119 120 Rb 0.75000000000000 0.07025208111575 0.25000000000000 85.468 > 119 121 Rb 0.25000000000000 0.63286048511808 0.25000000000000 85.468 > 121 122 Rb 0.75000000000000 0.63286048511808 0.25000000000000 85.468 > 121 123 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 > 123 124 Rb 0.50000000000000 0.86713951488192 0.75000000000000 85.468 > 123 125 Rb 0.25000000000000 0.36713951488192 0.75000000000000 85.468 > 125 126 Rb 0.75000000000000 0.36713951488192 0.75000000000000 85.468 > 125 127 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 > 127 128 Rb 0.50000000000000 0.13286048511808 0.25000000000000 85.468 > 127 129 Sn 0.12566198565787 0.13570556080095 0.92708436312094 118.710 > 129 130 Sn 0.62566198565787 0.13570556080095 0.92708436312094 118.710 > 129 131 Sn 0.37566198565787 0.36429443919904 0.07291563687906 118.710 > 131 132 Sn 0.87566198565787 0.36429443919904 0.07291563687906 118.710 > 131 133 Sn 0.12433801434213 0.36429443919904 0.42708436312094 118.710 > 133 134 Sn 0.62433801434213 0.36429443919904 0.42708436312094 118.710 > 133 135 Sn 0.37433801434213 0.13570556080095 0.57291563687906 118.710 > 135 136 Sn 0.87433801434213 0.13570556080095 0.57291563687906 118.710 > 135 137 Sn 0.37433801434213 0.86429443919905 0.07291563687906 118.710 > 137 138 Sn 0.87433801434213 0.86429443919905 0.07291563687906 118.710 > 137 139 Sn 0.12433801434213 0.63570556080095 0.92708436312094 118.710 > 139 140 Sn 0.62433801434213 0.63570556080095 0.92708436312094 118.710 > 139 141 Sn 0.37566198565787 0.63570556080095 0.57291563687906 118.710 > 141 142 Sn 0.87566198565787 0.63570556080095 0.57291563687906 118.710 > 141 143 Sn 0.12566198565787 0.86429443919905 0.42708436312094 118.710 > 143 144 Sn 0.62566198565787 0.86429443919905 0.42708436312094 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0255936 0.0000000 0.0000000 0.0000000 2.0414320 0.0000000 0.0000000 0.0000000 2.0380351 -------------------------- Born effective charges -------------------------- 1 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 2 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 3 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 4 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 5 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 6 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 7 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 8 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 9 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 10 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 11 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 12 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 13 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 14 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 15 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 16 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 17 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 18 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 19 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 20 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 21 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 22 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 23 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 24 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 25 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 26 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 27 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 28 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 29 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 30 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 31 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 32 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 33 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 34 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 35 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 36 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 37 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 38 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 39 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 40 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 41 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 42 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 43 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 44 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 45 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 46 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 47 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 48 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 49 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 50 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 51 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 52 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 53 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 54 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 55 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 56 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 57 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 58 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 59 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 60 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 61 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 62 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 63 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 64 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 65 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 66 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 67 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 68 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 69 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 70 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 71 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 72 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 2026-01-07 22:54:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:54:55]------------------------- 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: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.187490799999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): 1 F 0.20840932822813 0.72132781273144 0.37727085101282 18.998 2 F 0.70840932822813 0.77867218726856 0.62272914898718 18.998 3 F 0.29159067177187 0.77867218726856 0.87727085101282 18.998 4 F 0.79159067177187 0.72132781273144 0.12272914898718 18.998 5 F 0.79159067177187 0.27867218726856 0.62272914898718 18.998 6 F 0.29159067177187 0.22132781273144 0.37727085101282 18.998 7 F 0.70840932822813 0.22132781273144 0.12272914898718 18.998 8 F 0.20840932822813 0.27867218726856 0.87727085101282 18.998 9 F 0.31581766159106 0.00164150749067 0.48176099066135 18.998 10 F 0.81581766159106 0.49835849250933 0.51823900933865 18.998 11 F 0.18418233840894 0.49835849250933 0.98176099066135 18.998 12 F 0.68418233840894 0.00164150749067 0.01823900933865 18.998 13 F 0.68418233840894 0.99835849250933 0.51823900933865 18.998 14 F 0.18418233840894 0.50164150749067 0.48176099066135 18.998 15 F 0.81581766159106 0.50164150749067 0.01823900933865 18.998 16 F 0.31581766159106 0.99835849250933 0.98176099066135 18.998 17 F 0.48228882319679 0.83835604095259 0.38170613924677 18.998 18 F 0.02058431334379 0.88429417486107 0.47507805728409 18.998 19 F 0.98228882319679 0.66164395904741 0.61829386075323 18.998 20 F 0.51771117680321 0.83835604095259 0.11829386075323 18.998 21 F 0.51771117680321 0.16164395904741 0.61829386075323 18.998 22 F 0.01771117680321 0.33835604095259 0.38170613924677 18.998 23 F 0.98228882319679 0.33835604095259 0.11829386075323 18.998 24 F 0.48228882319679 0.16164395904741 0.88170613924677 18.998 25 F 0.29048409656326 0.42536003846903 0.26344329226108 18.998 26 F 0.79048409656326 0.07463996153097 0.73655670773892 18.998 27 F 0.20951590343674 0.07463996153097 0.76344329226108 18.998 28 F 0.70951590343674 0.42536003846903 0.23655670773892 18.998 29 F 0.70951590343674 0.57463996153097 0.73655670773892 18.998 30 F 0.20951590343674 0.92536003846903 0.26344329226108 18.998 31 F 0.79048409656326 0.92536003846903 0.23655670773892 18.998 32 F 0.29048409656326 0.57463996153097 0.76344329226108 18.998 33 F 0.28788820843008 0.18574247460851 0.09787303643438 18.998 34 F 0.78788820843008 0.31425752539149 0.90212696356562 18.998 35 F 0.21211179156992 0.31425752539149 0.59787303643438 18.998 36 F 0.71211179156992 0.18574247460851 0.40212696356562 18.998 37 F 0.71211179156992 0.81425752539149 0.90212696356562 18.998 38 F 0.21211179156992 0.68574247460851 0.09787303643438 18.998 39 F 0.78788820843008 0.68574247460851 0.40212696356562 18.998 40 F 0.28788820843008 0.81425752539149 0.59787303643438 18.998 41 F 0.02058431334379 0.11570582513893 0.97507805728409 18.998 42 F 0.52058431334379 0.38429417486107 0.02492194271591 18.998 43 F 0.47941568665621 0.38429417486107 0.47507805728409 18.998 44 F 0.97941568665621 0.11570582513893 0.52492194271591 18.998 45 F 0.97941568665621 0.88429417486107 0.02492194271591 18.998 46 F 0.47941568665621 0.61570582513893 0.97507805728409 18.998 47 F 0.52058431334379 0.61570582513893 0.52492194271591 18.998 48 F 0.01771117680321 0.66164395904741 0.88170613924677 18.998 49 Na 0.25567168479633 0.64237988314869 0.57580131388728 22.990 50 Na 0.75567168479633 0.85762011685131 0.42419868611272 22.990 51 Na 0.24432831520367 0.85762011685131 0.07580131388728 22.990 52 Na 0.74432831520367 0.64237988314869 0.92419868611272 22.990 53 Na 0.74432831520367 0.35762011685131 0.42419868611272 22.990 54 Na 0.24432831520367 0.14237988314869 0.57580131388728 22.990 55 Na 0.75567168479633 0.14237988314869 0.92419868611272 22.990 56 Na 0.25567168479633 0.35762011685131 0.07580131388728 22.990 57 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 58 Rb 0.50000000000000 0.92974791888425 0.75000000000000 85.468 59 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 60 Rb 0.50000000000000 0.07025208111575 0.25000000000000 85.468 61 Rb 0.50000000000000 0.63286048511808 0.25000000000000 85.468 62 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 63 Rb 0.50000000000000 0.36713951488192 0.75000000000000 85.468 64 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 65 Sn 0.25132397131573 0.13570556080095 0.92708436312094 118.710 66 Sn 0.75132397131573 0.36429443919904 0.07291563687906 118.710 67 Sn 0.24867602868427 0.36429443919904 0.42708436312094 118.710 68 Sn 0.74867602868427 0.13570556080095 0.57291563687906 118.710 69 Sn 0.74867602868427 0.86429443919905 0.07291563687906 118.710 70 Sn 0.24867602868427 0.63570556080095 0.92708436312094 118.710 71 Sn 0.75132397131573 0.63570556080095 0.57291563687906 118.710 72 Sn 0.25132397131573 0.86429443919905 0.42708436312094 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.374981599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 13.184443279999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.947888629999998 Atomic positions (fractional): 1 F 0.10420466411406 0.72132781273144 0.37727085101282 18.998 > 1 2 F 0.60420466411406 0.72132781273144 0.37727085101282 18.998 > 1 3 F 0.35420466411406 0.77867218726856 0.62272914898718 18.998 > 3 4 F 0.85420466411406 0.77867218726856 0.62272914898718 18.998 > 3 5 F 0.14579533588594 0.77867218726856 0.87727085101282 18.998 > 5 6 F 0.64579533588594 0.77867218726856 0.87727085101282 18.998 > 5 7 F 0.39579533588594 0.72132781273144 0.12272914898718 18.998 > 7 8 F 0.89579533588594 0.72132781273144 0.12272914898718 18.998 > 7 9 F 0.39579533588594 0.27867218726856 0.62272914898718 18.998 > 9 10 F 0.89579533588594 0.27867218726856 0.62272914898718 18.998 > 9 11 F 0.14579533588594 0.22132781273144 0.37727085101282 18.998 > 11 12 F 0.64579533588594 0.22132781273144 0.37727085101282 18.998 > 11 13 F 0.35420466411406 0.22132781273144 0.12272914898718 18.998 > 13 14 F 0.85420466411406 0.22132781273144 0.12272914898718 18.998 > 13 15 F 0.10420466411406 0.27867218726856 0.87727085101282 18.998 > 15 16 F 0.60420466411406 0.27867218726856 0.87727085101282 18.998 > 15 17 F 0.15790883079553 0.00164150749067 0.48176099066135 18.998 > 17 18 F 0.65790883079553 0.00164150749067 0.48176099066135 18.998 > 17 19 F 0.40790883079553 0.49835849250933 0.51823900933865 18.998 > 19 20 F 0.90790883079553 0.49835849250933 0.51823900933865 18.998 > 19 21 F 0.09209116920447 0.49835849250933 0.98176099066135 18.998 > 21 22 F 0.59209116920447 0.49835849250933 0.98176099066135 18.998 > 21 23 F 0.34209116920447 0.00164150749067 0.01823900933865 18.998 > 23 24 F 0.84209116920447 0.00164150749067 0.01823900933865 18.998 > 23 25 F 0.34209116920447 0.99835849250933 0.51823900933865 18.998 > 25 26 F 0.84209116920447 0.99835849250933 0.51823900933865 18.998 > 25 27 F 0.09209116920447 0.50164150749067 0.48176099066135 18.998 > 27 28 F 0.59209116920447 0.50164150749067 0.48176099066135 18.998 > 27 29 F 0.40790883079553 0.50164150749067 0.01823900933865 18.998 > 29 30 F 0.90790883079553 0.50164150749067 0.01823900933865 18.998 > 29 31 F 0.15790883079553 0.99835849250933 0.98176099066135 18.998 > 31 32 F 0.65790883079553 0.99835849250933 0.98176099066135 18.998 > 31 33 F 0.24114441159839 0.83835604095259 0.38170613924677 18.998 > 33 34 F 0.74114441159839 0.83835604095259 0.38170613924677 18.998 > 33 35 F 0.01029215667190 0.88429417486107 0.47507805728409 18.998 > 35 36 F 0.51029215667190 0.88429417486107 0.47507805728409 18.998 > 35 37 F 0.49114441159839 0.66164395904741 0.61829386075323 18.998 > 37 38 F 0.99114441159839 0.66164395904741 0.61829386075323 18.998 > 37 39 F 0.25885558840161 0.83835604095259 0.11829386075323 18.998 > 39 40 F 0.75885558840161 0.83835604095259 0.11829386075323 18.998 > 39 41 F 0.25885558840161 0.16164395904741 0.61829386075323 18.998 > 41 42 F 0.75885558840161 0.16164395904741 0.61829386075323 18.998 > 41 43 F 0.00885558840161 0.33835604095259 0.38170613924677 18.998 > 43 44 F 0.50885558840161 0.33835604095259 0.38170613924677 18.998 > 43 45 F 0.49114441159839 0.33835604095259 0.11829386075323 18.998 > 45 46 F 0.99114441159839 0.33835604095259 0.11829386075323 18.998 > 45 47 F 0.24114441159839 0.16164395904741 0.88170613924677 18.998 > 47 48 F 0.74114441159839 0.16164395904741 0.88170613924677 18.998 > 47 49 F 0.14524204828163 0.42536003846903 0.26344329226108 18.998 > 49 50 F 0.64524204828163 0.42536003846903 0.26344329226108 18.998 > 49 51 F 0.39524204828163 0.07463996153097 0.73655670773892 18.998 > 51 52 F 0.89524204828163 0.07463996153097 0.73655670773892 18.998 > 51 53 F 0.10475795171837 0.07463996153097 0.76344329226108 18.998 > 53 54 F 0.60475795171837 0.07463996153097 0.76344329226108 18.998 > 53 55 F 0.35475795171837 0.42536003846903 0.23655670773892 18.998 > 55 56 F 0.85475795171837 0.42536003846903 0.23655670773892 18.998 > 55 57 F 0.35475795171837 0.57463996153097 0.73655670773892 18.998 > 57 58 F 0.85475795171837 0.57463996153097 0.73655670773892 18.998 > 57 59 F 0.10475795171837 0.92536003846903 0.26344329226108 18.998 > 59 60 F 0.60475795171837 0.92536003846903 0.26344329226108 18.998 > 59 61 F 0.39524204828163 0.92536003846903 0.23655670773892 18.998 > 61 62 F 0.89524204828163 0.92536003846903 0.23655670773892 18.998 > 61 63 F 0.14524204828163 0.57463996153097 0.76344329226108 18.998 > 63 64 F 0.64524204828163 0.57463996153097 0.76344329226108 18.998 > 63 65 F 0.14394410421504 0.18574247460851 0.09787303643438 18.998 > 65 66 F 0.64394410421504 0.18574247460851 0.09787303643438 18.998 > 65 67 F 0.39394410421504 0.31425752539149 0.90212696356562 18.998 > 67 68 F 0.89394410421504 0.31425752539149 0.90212696356562 18.998 > 67 69 F 0.10605589578496 0.31425752539149 0.59787303643438 18.998 > 69 70 F 0.60605589578496 0.31425752539149 0.59787303643438 18.998 > 69 71 F 0.35605589578496 0.18574247460851 0.40212696356562 18.998 > 71 72 F 0.85605589578496 0.18574247460851 0.40212696356562 18.998 > 71 73 F 0.35605589578496 0.81425752539149 0.90212696356562 18.998 > 73 74 F 0.85605589578496 0.81425752539149 0.90212696356562 18.998 > 73 75 F 0.10605589578496 0.68574247460851 0.09787303643438 18.998 > 75 76 F 0.60605589578496 0.68574247460851 0.09787303643438 18.998 > 75 77 F 0.39394410421504 0.68574247460851 0.40212696356562 18.998 > 77 78 F 0.89394410421504 0.68574247460851 0.40212696356562 18.998 > 77 79 F 0.14394410421504 0.81425752539149 0.59787303643438 18.998 > 79 80 F 0.64394410421504 0.81425752539149 0.59787303643438 18.998 > 79 81 F 0.01029215667190 0.11570582513893 0.97507805728409 18.998 > 81 82 F 0.51029215667190 0.11570582513893 0.97507805728409 18.998 > 81 83 F 0.26029215667190 0.38429417486107 0.02492194271591 18.998 > 83 84 F 0.76029215667190 0.38429417486107 0.02492194271591 18.998 > 83 85 F 0.23970784332810 0.38429417486107 0.47507805728409 18.998 > 85 86 F 0.73970784332810 0.38429417486107 0.47507805728409 18.998 > 85 87 F 0.48970784332810 0.11570582513893 0.52492194271591 18.998 > 87 88 F 0.98970784332810 0.11570582513893 0.52492194271591 18.998 > 87 89 F 0.48970784332810 0.88429417486107 0.02492194271591 18.998 > 89 90 F 0.98970784332810 0.88429417486107 0.02492194271591 18.998 > 89 91 F 0.23970784332810 0.61570582513893 0.97507805728409 18.998 > 91 92 F 0.73970784332810 0.61570582513893 0.97507805728409 18.998 > 91 93 F 0.26029215667190 0.61570582513893 0.52492194271591 18.998 > 93 94 F 0.76029215667190 0.61570582513893 0.52492194271591 18.998 > 93 95 F 0.00885558840161 0.66164395904741 0.88170613924677 18.998 > 95 96 F 0.50885558840161 0.66164395904741 0.88170613924677 18.998 > 95 97 Na 0.12783584239816 0.64237988314869 0.57580131388728 22.990 > 97 98 Na 0.62783584239816 0.64237988314869 0.57580131388728 22.990 > 97 99 Na 0.37783584239816 0.85762011685131 0.42419868611272 22.990 > 99 100 Na 0.87783584239816 0.85762011685131 0.42419868611272 22.990 > 99 101 Na 0.12216415760184 0.85762011685131 0.07580131388728 22.990 > 101 102 Na 0.62216415760184 0.85762011685131 0.07580131388728 22.990 > 101 103 Na 0.37216415760184 0.64237988314869 0.92419868611272 22.990 > 103 104 Na 0.87216415760184 0.64237988314869 0.92419868611272 22.990 > 103 105 Na 0.37216415760184 0.35762011685131 0.42419868611272 22.990 > 105 106 Na 0.87216415760184 0.35762011685131 0.42419868611272 22.990 > 105 107 Na 0.12216415760184 0.14237988314869 0.57580131388728 22.990 > 107 108 Na 0.62216415760184 0.14237988314869 0.57580131388728 22.990 > 107 109 Na 0.37783584239816 0.14237988314869 0.92419868611272 22.990 > 109 110 Na 0.87783584239816 0.14237988314869 0.92419868611272 22.990 > 109 111 Na 0.12783584239816 0.35762011685131 0.07580131388728 22.990 > 111 112 Na 0.62783584239816 0.35762011685131 0.07580131388728 22.990 > 111 113 Rb 0.00000000000000 0.57025208111575 0.25000000000000 85.468 > 113 114 Rb 0.50000000000000 0.57025208111575 0.25000000000000 85.468 > 113 115 Rb 0.25000000000000 0.92974791888425 0.75000000000000 85.468 > 115 116 Rb 0.75000000000000 0.92974791888425 0.75000000000000 85.468 > 115 117 Rb 0.00000000000000 0.42974791888425 0.75000000000000 85.468 > 117 118 Rb 0.50000000000000 0.42974791888425 0.75000000000000 85.468 > 117 119 Rb 0.25000000000000 0.07025208111575 0.25000000000000 85.468 > 119 120 Rb 0.75000000000000 0.07025208111575 0.25000000000000 85.468 > 119 121 Rb 0.25000000000000 0.63286048511808 0.25000000000000 85.468 > 121 122 Rb 0.75000000000000 0.63286048511808 0.25000000000000 85.468 > 121 123 Rb 0.00000000000000 0.86713951488192 0.75000000000000 85.468 > 123 124 Rb 0.50000000000000 0.86713951488192 0.75000000000000 85.468 > 123 125 Rb 0.25000000000000 0.36713951488192 0.75000000000000 85.468 > 125 126 Rb 0.75000000000000 0.36713951488192 0.75000000000000 85.468 > 125 127 Rb 0.00000000000000 0.13286048511808 0.25000000000000 85.468 > 127 128 Rb 0.50000000000000 0.13286048511808 0.25000000000000 85.468 > 127 129 Sn 0.12566198565787 0.13570556080095 0.92708436312094 118.710 > 129 130 Sn 0.62566198565787 0.13570556080095 0.92708436312094 118.710 > 129 131 Sn 0.37566198565787 0.36429443919904 0.07291563687906 118.710 > 131 132 Sn 0.87566198565787 0.36429443919904 0.07291563687906 118.710 > 131 133 Sn 0.12433801434213 0.36429443919904 0.42708436312094 118.710 > 133 134 Sn 0.62433801434213 0.36429443919904 0.42708436312094 118.710 > 133 135 Sn 0.37433801434213 0.13570556080095 0.57291563687906 118.710 > 135 136 Sn 0.87433801434213 0.13570556080095 0.57291563687906 118.710 > 135 137 Sn 0.37433801434213 0.86429443919905 0.07291563687906 118.710 > 137 138 Sn 0.87433801434213 0.86429443919905 0.07291563687906 118.710 > 137 139 Sn 0.12433801434213 0.63570556080095 0.92708436312094 118.710 > 139 140 Sn 0.62433801434213 0.63570556080095 0.92708436312094 118.710 > 139 141 Sn 0.37566198565787 0.63570556080095 0.57291563687906 118.710 > 141 142 Sn 0.87566198565787 0.63570556080095 0.57291563687906 118.710 > 141 143 Sn 0.12566198565787 0.86429443919905 0.42708436312094 118.710 > 143 144 Sn 0.62566198565787 0.86429443919905 0.42708436312094 118.710 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0255936 0.0000000 0.0000000 0.0000000 2.0414320 0.0000000 0.0000000 0.0000000 2.0380351 -------------------------- Born effective charges -------------------------- 1 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 2 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 3 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 4 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 5 F -0.7865083 -0.0993154 -0.0016148 -0.1009300 -1.2880852 -0.1686643 -0.0079850 -0.2158578 -0.8283313 6 F -0.7865083 0.0993154 0.0016148 0.1009300 -1.2880852 -0.1686643 0.0079850 -0.2158578 -0.8283313 7 F -0.7865083 -0.0993154 0.0016148 -0.1009300 -1.2880852 0.1686643 0.0079850 0.2158578 -0.8283313 8 F -0.7865083 0.0993154 -0.0016148 0.1009300 -1.2880852 0.1686643 -0.0079850 0.2158578 -0.8283313 9 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 10 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 11 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 12 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 13 F -0.7598164 -0.1228376 -0.0220360 -0.1219964 -1.2435359 -0.1485489 -0.0056583 -0.1508064 -0.8484318 14 F -0.7598164 0.1228376 0.0220360 0.1219964 -1.2435359 -0.1485489 0.0056583 -0.1508064 -0.8484318 15 F -0.7598164 -0.1228376 0.0220360 -0.1219964 -1.2435359 0.1485489 0.0056583 0.1508064 -0.8484318 16 F -0.7598164 0.1228376 -0.0220360 0.1219964 -1.2435359 0.1485489 -0.0056583 0.1508064 -0.8484318 17 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 18 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 19 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 20 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 21 F -1.2635207 0.0943449 0.1275710 0.0909936 -0.8179930 -0.0331325 0.1409594 -0.0374472 -0.7582086 22 F -1.2635207 -0.0943449 -0.1275710 -0.0909936 -0.8179930 -0.0331325 -0.1409594 -0.0374472 -0.7582086 23 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 24 F -1.2635207 -0.0943449 0.1275710 -0.0909936 -0.8179930 0.0331325 0.1409594 0.0374472 -0.7582086 25 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 26 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 27 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 28 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 29 F -0.7739378 -0.0381201 0.0763220 -0.0178464 -0.8820712 0.2135926 0.0598899 0.1957319 -1.2246648 30 F -0.7739378 0.0381201 -0.0763220 0.0178464 -0.8820712 0.2135926 -0.0598899 0.1957319 -1.2246648 31 F -0.7739378 -0.0381201 -0.0763220 -0.0178464 -0.8820712 -0.2135926 -0.0598899 -0.1957319 -1.2246648 32 F -0.7739378 0.0381201 0.0763220 0.0178464 -0.8820712 -0.2135926 0.0598899 -0.1957319 -1.2246648 33 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 34 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 35 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 36 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 37 F -0.8011983 0.0168866 -0.0429229 0.0211732 -0.8328522 -0.1139510 -0.0594982 -0.1074574 -1.2694622 38 F -0.8011983 -0.0168866 0.0429229 -0.0211732 -0.8328522 -0.1139510 0.0594982 -0.1074574 -1.2694622 39 F -0.8011983 0.0168866 0.0429229 0.0211732 -0.8328522 0.1139510 0.0594982 0.1074574 -1.2694622 40 F -0.8011983 -0.0168866 -0.0429229 -0.0211732 -0.8328522 0.1139510 -0.0594982 0.1074574 -1.2694622 41 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 42 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 43 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 44 F -1.2964322 0.0496015 0.1526923 0.0372164 -0.7051518 0.0099804 0.1426508 0.0019387 -0.8175934 45 F -1.2964322 -0.0496015 0.1526923 -0.0372164 -0.7051518 -0.0099804 0.1426508 -0.0019387 -0.8175934 46 F -1.2964322 0.0496015 -0.1526923 0.0372164 -0.7051518 -0.0099804 -0.1426508 -0.0019387 -0.8175934 47 F -1.2964322 -0.0496015 -0.1526923 -0.0372164 -0.7051518 0.0099804 -0.1426508 0.0019387 -0.8175934 48 F -1.2635207 0.0943449 -0.1275710 0.0909936 -0.8179930 0.0331325 -0.1409594 0.0374472 -0.7582086 49 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 50 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 51 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 52 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 53 Na 1.1411200 -0.0233443 -0.0874053 0.0380923 1.1047530 -0.0241892 0.0102204 -0.0701930 1.0635633 54 Na 1.1411200 0.0233443 0.0874053 -0.0380923 1.1047530 -0.0241892 -0.0102204 -0.0701930 1.0635633 55 Na 1.1411200 -0.0233443 0.0874053 0.0380923 1.1047530 0.0241892 -0.0102204 0.0701930 1.0635633 56 Na 1.1411200 0.0233443 -0.0874053 -0.0380923 1.1047530 0.0241892 0.0102204 0.0701930 1.0635633 57 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 58 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 59 Rb 1.2018491 0.0000000 0.0176925 -0.0000000 1.2555832 -0.0000000 0.0038911 0.0000000 1.2749944 60 Rb 1.2018491 0.0000000 -0.0176925 -0.0000000 1.2555832 -0.0000000 -0.0038911 0.0000000 1.2749944 61 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 62 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 63 Rb 1.1718778 0.0000000 0.0542244 -0.0000000 1.2252961 -0.0000000 0.0270011 0.0000000 1.3103712 64 Rb 1.1718778 0.0000000 -0.0542244 -0.0000000 1.2252961 -0.0000000 -0.0270011 0.0000000 1.3103712 65 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 66 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 67 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 68 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 69 Sn 3.3534304 0.0080553 -0.1350116 -0.0518874 3.4244966 0.0596829 -0.0966924 0.0143900 3.3904459 70 Sn 3.3534304 -0.0080553 0.1350116 0.0518874 3.4244966 0.0596829 0.0966924 0.0143900 3.3904459 71 Sn 3.3534304 0.0080553 0.1350116 -0.0518874 3.4244966 -0.0596829 0.0966924 -0.0143900 3.3904459 72 Sn 3.3534304 -0.0080553 -0.1350116 0.0518874 3.4244966 -0.0596829 -0.0966924 -0.0143900 3.3904459 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 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: 0.39, Number of G-points: 305, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 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 0.709 ( 0.000 0.000 0.000) 0.000 0.875 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.146 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.245 ( 0.000 0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.541 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.778 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 9.316 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.870 ( 0.000 0.000 0.000) 0.000 13.911 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.020 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.465 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.557 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 15.762 ( 0.000 0.000 0.000) 0.000 15.765 ( 0.000 0.000 0.000) 0.000 15.979 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.008 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.200 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.266 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.425 ( 0.000 0.000 0.000) 0.000 16.431 ( 0.000 0.000 0.000) 0.000 16.568 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.754 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 16.808 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 16.998 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 17.241 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 13.664 0.000 0.000) 13.664 0.329 ( 15.839 0.000 0.000) 15.839 0.723 ( 33.644 0.000 0.000) 33.644 0.796 ( 7.272 0.000 0.000) 7.272 0.935 ( 5.525 0.000 0.000) 5.525 1.000 ( 5.807 0.000 0.000) 5.807 1.070 ( 0.602 0.000 0.000) 0.602 1.163 ( 2.390 0.000 0.000) 2.390 1.238 ( 0.944 0.000 0.000) 0.944 1.275 ( 4.826 0.000 0.000) 4.826 1.281 ( 12.238 0.000 0.000) 12.238 1.350 ( -2.977 0.000 0.000) 2.977 1.389 ( -1.145 0.000 0.000) 1.145 1.400 ( 2.964 0.000 0.000) 2.964 1.400 ( 6.680 0.000 0.000) 6.680 1.465 ( 0.764 0.000 0.000) 0.764 1.487 ( 5.780 0.000 0.000) 5.780 1.525 ( -2.059 0.000 0.000) 2.059 1.558 ( 0.362 0.000 0.000) 0.362 1.581 ( 8.785 0.000 0.000) 8.785 1.620 ( -2.955 0.000 0.000) 2.955 1.633 ( -2.610 0.000 0.000) 2.610 1.685 ( 0.799 0.000 0.000) 0.799 1.688 ( -2.542 0.000 0.000) 2.542 1.768 ( 1.154 0.000 0.000) 1.154 1.786 ( -5.339 0.000 0.000) 5.339 1.843 ( 3.728 0.000 0.000) 3.728 1.847 ( -2.590 0.000 0.000) 2.590 1.903 ( 1.079 0.000 0.000) 1.079 1.906 ( 5.013 0.000 0.000) 5.013 1.934 ( 0.100 0.000 0.000) 0.100 1.978 ( 0.523 0.000 0.000) 0.523 2.019 ( 0.147 0.000 0.000) 0.147 2.051 ( 4.226 0.000 0.000) 4.226 2.056 ( 3.075 0.000 0.000) 3.075 2.058 ( 1.638 0.000 0.000) 1.638 2.107 ( -1.280 0.000 0.000) 1.280 2.130 ( 3.505 0.000 0.000) 3.505 2.151 ( 5.335 0.000 0.000) 5.335 2.173 ( 1.846 0.000 0.000) 1.846 2.175 ( -2.663 0.000 0.000) 2.663 2.178 ( 1.663 0.000 0.000) 1.663 2.254 ( -0.654 0.000 0.000) 0.654 2.391 ( 2.001 0.000 0.000) 2.001 2.402 ( -1.769 0.000 0.000) 1.769 2.403 ( -0.209 0.000 0.000) 0.209 2.408 ( -2.868 0.000 0.000) 2.868 2.409 ( -2.234 0.000 0.000) 2.234 2.417 ( -2.722 0.000 0.000) 2.722 2.450 ( -2.257 0.000 0.000) 2.257 2.502 ( 2.953 0.000 0.000) 2.953 2.542 ( -1.274 0.000 0.000) 1.274 2.586 ( -2.280 0.000 0.000) 2.280 2.601 ( -0.666 0.000 0.000) 0.666 2.635 ( 2.503 0.000 0.000) 2.503 2.687 ( 2.836 0.000 0.000) 2.836 2.698 ( -1.437 0.000 0.000) 1.437 2.712 ( 0.876 0.000 0.000) 0.876 2.752 ( -1.633 0.000 0.000) 1.633 2.768 ( -1.336 0.000 0.000) 1.336 2.823 ( -0.992 0.000 0.000) 0.992 2.872 ( 4.107 0.000 0.000) 4.107 2.964 ( 6.024 0.000 0.000) 6.024 2.966 ( -3.432 0.000 0.000) 3.432 2.989 ( 4.655 0.000 0.000) 4.655 3.015 ( -4.211 0.000 0.000) 4.211 3.064 ( -3.323 0.000 0.000) 3.323 3.089 ( -3.143 0.000 0.000) 3.143 3.112 ( 0.618 0.000 0.000) 0.618 3.199 ( -1.703 0.000 0.000) 1.703 3.222 ( 2.770 0.000 0.000) 2.770 3.323 ( -3.826 0.000 0.000) 3.826 4.058 ( 6.008 0.000 0.000) 6.008 4.163 ( 2.028 0.000 0.000) 2.028 4.177 ( 1.384 0.000 0.000) 1.384 4.196 ( 1.717 0.000 0.000) 1.717 4.207 ( -2.021 0.000 0.000) 2.021 4.344 ( 3.410 0.000 0.000) 3.410 4.385 ( 5.023 0.000 0.000) 5.023 4.398 ( -3.086 0.000 0.000) 3.086 4.488 ( 1.575 0.000 0.000) 1.575 4.490 ( 0.376 0.000 0.000) 0.376 4.503 ( -3.135 0.000 0.000) 3.135 4.601 ( 0.314 0.000 0.000) 0.314 4.665 ( 0.064 0.000 0.000) 0.064 4.676 ( -0.510 0.000 0.000) 0.510 4.696 ( 4.177 0.000 0.000) 4.177 4.702 ( 0.876 0.000 0.000) 0.876 4.741 ( -0.003 0.000 0.000) 0.003 4.822 ( 3.570 0.000 0.000) 3.570 4.823 ( 0.754 0.000 0.000) 0.754 4.837 ( 2.013 0.000 0.000) 2.013 4.869 ( 4.184 0.000 0.000) 4.184 4.988 ( 5.757 0.000 0.000) 5.757 5.075 ( -0.664 0.000 0.000) 0.664 5.202 ( 0.018 0.000 0.000) 0.018 5.315 ( -0.564 0.000 0.000) 0.564 5.365 ( -3.162 0.000 0.000) 3.162 5.386 ( 3.161 0.000 0.000) 3.161 5.430 ( -0.181 0.000 0.000) 0.181 5.473 ( 0.398 0.000 0.000) 0.398 5.517 ( 0.750 0.000 0.000) 0.750 5.615 ( 0.830 0.000 0.000) 0.830 5.633 ( -1.086 0.000 0.000) 1.086 5.673 ( 4.417 0.000 0.000) 4.417 5.704 ( -2.609 0.000 0.000) 2.609 5.749 ( 2.965 0.000 0.000) 2.965 5.757 ( 1.829 0.000 0.000) 1.829 5.780 ( 0.437 0.000 0.000) 0.437 5.864 ( -0.383 0.000 0.000) 0.383 6.030 ( 1.776 0.000 0.000) 1.776 6.052 ( 2.187 0.000 0.000) 2.187 6.081 ( -1.614 0.000 0.000) 1.614 6.181 ( -0.797 0.000 0.000) 0.797 6.379 ( -3.575 0.000 0.000) 3.575 6.405 ( -1.545 0.000 0.000) 1.545 6.462 ( -2.957 0.000 0.000) 2.957 6.516 ( -2.703 0.000 0.000) 2.703 6.532 ( -1.270 0.000 0.000) 1.270 6.576 ( -3.674 0.000 0.000) 3.674 6.627 ( 2.788 0.000 0.000) 2.788 6.652 ( 5.253 0.000 0.000) 5.253 6.655 ( 2.580 0.000 0.000) 2.580 6.688 ( -0.433 0.000 0.000) 0.433 6.781 ( 0.348 0.000 0.000) 0.348 6.787 ( 8.195 0.000 0.000) 8.195 6.907 ( 2.300 0.000 0.000) 2.300 6.913 ( -4.291 0.000 0.000) 4.291 6.961 ( 3.723 0.000 0.000) 3.723 7.027 ( 1.158 0.000 0.000) 1.158 7.027 ( 2.685 0.000 0.000) 2.685 7.142 ( 3.187 0.000 0.000) 3.187 7.181 ( -3.530 0.000 0.000) 3.530 7.220 ( -2.935 0.000 0.000) 2.935 7.259 ( -2.121 0.000 0.000) 2.121 7.318 ( -3.586 0.000 0.000) 3.586 7.321 ( -0.956 0.000 0.000) 0.956 7.366 ( -1.843 0.000 0.000) 1.843 7.374 ( -0.088 0.000 0.000) 0.088 7.375 ( -0.610 0.000 0.000) 0.610 7.417 ( 0.778 0.000 0.000) 0.778 7.465 ( 1.389 0.000 0.000) 1.389 7.550 ( 3.612 0.000 0.000) 3.612 7.582 ( -0.825 0.000 0.000) 0.825 7.643 ( -2.213 0.000 0.000) 2.213 7.666 ( -0.456 0.000 0.000) 0.456 7.766 ( -1.434 0.000 0.000) 1.434 7.804 ( -4.775 0.000 0.000) 4.775 7.810 ( -1.600 0.000 0.000) 1.600 7.832 ( 0.616 0.000 0.000) 0.616 7.871 ( -1.615 0.000 0.000) 1.615 7.905 ( -0.842 0.000 0.000) 0.842 7.931 ( -6.603 0.000 0.000) 6.603 8.012 ( -1.255 0.000 0.000) 1.255 8.059 ( -7.553 0.000 0.000) 7.553 8.089 ( 1.475 0.000 0.000) 1.475 8.154 ( 0.100 0.000 0.000) 0.100 8.185 ( -1.598 0.000 0.000) 1.598 8.208 ( 2.570 0.000 0.000) 2.570 8.245 ( 0.597 0.000 0.000) 0.597 8.470 ( 2.867 0.000 0.000) 2.867 8.526 ( -3.140 0.000 0.000) 3.140 8.680 ( -4.153 0.000 0.000) 4.153 8.684 ( 5.241 0.000 0.000) 5.241 8.729 ( -3.814 0.000 0.000) 3.814 8.736 ( -4.632 0.000 0.000) 4.632 8.760 ( -3.276 0.000 0.000) 3.276 9.262 ( -5.103 0.000 0.000) 5.103 13.398 ( 1.595 0.000 0.000) 1.595 13.461 ( 0.263 0.000 0.000) 0.263 13.484 ( -0.017 0.000 0.000) 0.017 13.509 ( 1.037 0.000 0.000) 1.037 13.519 ( -0.361 0.000 0.000) 0.361 13.607 ( 0.054 0.000 0.000) 0.054 13.720 ( -2.998 0.000 0.000) 2.998 13.740 ( -2.788 0.000 0.000) 2.788 13.864 ( -0.986 0.000 0.000) 0.986 13.950 ( 1.719 0.000 0.000) 1.719 13.952 ( 3.487 0.000 0.000) 3.487 13.967 ( -3.199 0.000 0.000) 3.199 14.009 ( -0.999 0.000 0.000) 0.999 14.085 ( -3.325 0.000 0.000) 3.325 14.423 ( -3.952 0.000 0.000) 3.952 14.427 ( -4.681 0.000 0.000) 4.681 15.379 ( 0.273 0.000 0.000) 0.273 15.451 ( -0.546 0.000 0.000) 0.546 15.527 ( 0.938 0.000 0.000) 0.938 15.595 ( -0.385 0.000 0.000) 0.385 15.691 ( -4.087 0.000 0.000) 4.087 15.696 ( -3.972 0.000 0.000) 3.972 15.744 ( 0.266 0.000 0.000) 0.266 15.770 ( -1.561 0.000 0.000) 1.561 15.942 ( -1.979 0.000 0.000) 1.979 15.980 ( -0.080 0.000 0.000) 0.080 16.002 ( -0.914 0.000 0.000) 0.914 16.116 ( -5.570 0.000 0.000) 5.570 16.174 ( -4.246 0.000 0.000) 4.246 16.190 ( -3.623 0.000 0.000) 3.623 16.223 ( -5.219 0.000 0.000) 5.219 16.259 ( -2.705 0.000 0.000) 2.705 16.438 ( 3.602 0.000 0.000) 3.602 16.452 ( 2.864 0.000 0.000) 2.864 16.469 ( 4.567 0.000 0.000) 4.567 16.491 ( 3.886 0.000 0.000) 3.886 16.502 ( 9.173 0.000 0.000) 9.173 16.628 ( 4.185 0.000 0.000) 4.185 16.748 ( 6.721 0.000 0.000) 6.721 16.761 ( 0.682 0.000 0.000) 0.682 16.809 ( 0.021 0.000 0.000) 0.021 16.810 ( 0.917 0.000 0.000) 0.917 16.877 ( 0.323 0.000 0.000) 0.323 16.994 ( 3.561 0.000 0.000) 3.561 17.060 ( 5.195 0.000 0.000) 5.195 17.226 ( 0.816 0.000 0.000) 0.816 17.262 ( 1.701 0.000 0.000) 1.701 17.421 ( -3.019 0.000 0.000) 3.019 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 13.284 0.000 0.000) 13.284 0.634 ( 13.785 0.000 0.000) 13.785 0.968 ( 9.361 0.000 0.000) 9.361 1.013 ( -6.140 0.000 0.000) 6.140 1.020 ( -4.681 0.000 0.000) 4.681 1.076 ( 7.710 0.000 0.000) 7.710 1.257 ( 5.673 0.000 0.000) 5.673 1.281 ( 2.928 0.000 0.000) 2.928 1.303 ( 13.898 0.000 0.000) 13.898 1.307 ( -0.792 0.000 0.000) 0.792 1.318 ( 1.051 0.000 0.000) 1.051 1.371 ( -0.848 0.000 0.000) 0.848 1.399 ( -2.093 0.000 0.000) 2.093 1.446 ( 2.440 0.000 0.000) 2.440 1.459 ( 3.214 0.000 0.000) 3.214 1.526 ( -2.019 0.000 0.000) 2.019 1.547 ( 3.119 0.000 0.000) 3.119 1.564 ( -1.297 0.000 0.000) 1.297 1.570 ( 1.447 0.000 0.000) 1.447 1.570 ( -0.868 0.000 0.000) 0.868 1.586 ( 3.955 0.000 0.000) 3.955 1.616 ( -3.478 0.000 0.000) 3.478 1.683 ( -0.143 0.000 0.000) 0.143 1.706 ( 1.373 0.000 0.000) 1.373 1.734 ( 4.659 0.000 0.000) 4.659 1.821 ( 2.813 0.000 0.000) 2.813 1.849 ( 3.109 0.000 0.000) 3.109 1.893 ( -1.549 0.000 0.000) 1.549 1.911 ( 1.862 0.000 0.000) 1.862 1.958 ( 1.944 0.000 0.000) 1.944 1.986 ( 1.761 0.000 0.000) 1.761 2.018 ( 0.393 0.000 0.000) 0.393 2.056 ( 2.476 0.000 0.000) 2.476 2.091 ( 0.755 0.000 0.000) 0.755 2.100 ( 1.727 0.000 0.000) 1.727 2.110 ( 1.363 0.000 0.000) 1.363 2.120 ( 1.703 0.000 0.000) 1.703 2.146 ( -1.602 0.000 0.000) 1.602 2.173 ( 4.300 0.000 0.000) 4.300 2.177 ( -0.551 0.000 0.000) 0.551 2.226 ( 1.762 0.000 0.000) 1.762 2.272 ( 2.461 0.000 0.000) 2.461 2.300 ( 5.437 0.000 0.000) 5.437 2.338 ( -3.245 0.000 0.000) 3.245 2.345 ( -2.442 0.000 0.000) 2.442 2.375 ( -2.179 0.000 0.000) 2.179 2.379 ( 1.430 0.000 0.000) 1.430 2.383 ( -0.602 0.000 0.000) 0.602 2.404 ( -1.553 0.000 0.000) 1.553 2.467 ( 4.742 0.000 0.000) 4.742 2.549 ( 1.282 0.000 0.000) 1.282 2.566 ( 0.145 0.000 0.000) 0.145 2.579 ( 4.725 0.000 0.000) 4.725 2.609 ( 2.126 0.000 0.000) 2.126 2.667 ( -5.165 0.000 0.000) 5.165 2.678 ( -2.742 0.000 0.000) 2.742 2.689 ( 0.915 0.000 0.000) 0.915 2.691 ( 1.073 0.000 0.000) 1.073 2.741 ( 0.265 0.000 0.000) 0.265 2.758 ( 0.765 0.000 0.000) 0.765 2.845 ( 1.722 0.000 0.000) 1.722 2.904 ( -2.461 0.000 0.000) 2.461 2.953 ( -6.099 0.000 0.000) 6.099 2.957 ( -1.043 0.000 0.000) 1.043 2.959 ( 0.789 0.000 0.000) 0.789 2.975 ( 0.077 0.000 0.000) 0.077 3.078 ( -0.288 0.000 0.000) 0.288 3.100 ( 1.484 0.000 0.000) 1.484 3.125 ( 5.451 0.000 0.000) 5.451 3.156 ( -2.026 0.000 0.000) 2.026 3.219 ( -5.985 0.000 0.000) 5.985 3.252 ( -0.119 0.000 0.000) 0.119 4.167 ( -1.429 0.000 0.000) 1.429 4.177 ( 2.402 0.000 0.000) 2.402 4.218 ( 2.210 0.000 0.000) 2.210 4.221 ( 3.367 0.000 0.000) 3.367 4.243 ( 3.937 0.000 0.000) 3.937 4.326 ( -3.223 0.000 0.000) 3.223 4.424 ( 3.660 0.000 0.000) 3.660 4.460 ( 0.677 0.000 0.000) 0.677 4.487 ( 4.948 0.000 0.000) 4.948 4.510 ( 0.054 0.000 0.000) 0.054 4.520 ( 1.682 0.000 0.000) 1.682 4.639 ( 1.850 0.000 0.000) 1.850 4.651 ( -1.792 0.000 0.000) 1.792 4.678 ( 1.330 0.000 0.000) 1.330 4.714 ( -0.265 0.000 0.000) 0.265 4.746 ( 0.577 0.000 0.000) 0.577 4.752 ( 0.684 0.000 0.000) 0.684 4.819 ( -1.994 0.000 0.000) 1.994 4.906 ( 5.334 0.000 0.000) 5.334 4.921 ( 6.163 0.000 0.000) 6.163 4.975 ( 5.836 0.000 0.000) 5.836 5.088 ( 1.490 0.000 0.000) 1.490 5.094 ( 2.375 0.000 0.000) 2.375 5.175 ( -2.875 0.000 0.000) 2.875 5.315 ( 0.720 0.000 0.000) 0.720 5.320 ( -0.302 0.000 0.000) 0.302 5.427 ( 0.866 0.000 0.000) 0.866 5.446 ( -2.391 0.000 0.000) 2.391 5.456 ( 2.966 0.000 0.000) 2.966 5.560 ( 4.230 0.000 0.000) 4.230 5.583 ( -4.221 0.000 0.000) 4.221 5.661 ( -0.747 0.000 0.000) 0.747 5.669 ( 4.388 0.000 0.000) 4.388 5.707 ( -1.178 0.000 0.000) 1.178 5.790 ( 0.236 0.000 0.000) 0.236 5.793 ( 1.210 0.000 0.000) 1.210 5.835 ( -3.809 0.000 0.000) 3.809 5.848 ( 7.075 0.000 0.000) 7.075 5.996 ( -7.279 0.000 0.000) 7.279 6.086 ( 3.714 0.000 0.000) 3.714 6.096 ( 0.837 0.000 0.000) 0.837 6.189 ( 2.101 0.000 0.000) 2.101 6.295 ( -4.885 0.000 0.000) 4.885 6.351 ( -3.640 0.000 0.000) 3.640 6.419 ( -1.269 0.000 0.000) 1.269 6.442 ( -3.274 0.000 0.000) 3.274 6.473 ( -5.141 0.000 0.000) 5.141 6.493 ( -2.610 0.000 0.000) 2.610 6.688 ( 3.156 0.000 0.000) 3.156 6.705 ( 2.317 0.000 0.000) 2.317 6.712 ( 3.169 0.000 0.000) 3.169 6.745 ( 3.251 0.000 0.000) 3.251 6.790 ( 0.419 0.000 0.000) 0.419 6.842 ( -2.414 0.000 0.000) 2.414 6.969 ( 3.144 0.000 0.000) 3.144 7.001 ( 8.722 0.000 0.000) 8.722 7.067 ( 6.044 0.000 0.000) 6.044 7.075 ( 3.630 0.000 0.000) 3.630 7.122 ( -3.483 0.000 0.000) 3.483 7.124 ( 6.365 0.000 0.000) 6.365 7.162 ( -1.398 0.000 0.000) 1.398 7.164 ( 2.489 0.000 0.000) 2.489 7.239 ( -4.010 0.000 0.000) 4.010 7.280 ( 4.740 0.000 0.000) 4.740 7.281 ( -2.452 0.000 0.000) 2.452 7.326 ( -2.158 0.000 0.000) 2.158 7.357 ( -0.898 0.000 0.000) 0.898 7.373 ( 0.047 0.000 0.000) 0.047 7.447 ( 2.236 0.000 0.000) 2.236 7.448 ( -2.196 0.000 0.000) 2.196 7.525 ( -4.653 0.000 0.000) 4.653 7.605 ( -0.969 0.000 0.000) 0.969 7.609 ( 0.701 0.000 0.000) 0.701 7.616 ( -10.891 0.000 0.000) 10.891 7.680 ( -0.131 0.000 0.000) 0.131 7.745 ( -4.453 0.000 0.000) 4.453 7.750 ( -0.206 0.000 0.000) 0.206 7.765 ( -7.325 0.000 0.000) 7.325 7.810 ( -7.297 0.000 0.000) 7.297 7.830 ( -2.360 0.000 0.000) 2.360 7.890 ( -4.021 0.000 0.000) 4.021 7.946 ( 4.190 0.000 0.000) 4.190 7.966 ( -3.210 0.000 0.000) 3.210 8.073 ( -1.839 0.000 0.000) 1.839 8.189 ( 2.706 0.000 0.000) 2.706 8.217 ( 4.692 0.000 0.000) 4.692 8.264 ( 1.224 0.000 0.000) 1.224 8.284 ( 3.959 0.000 0.000) 3.959 8.465 ( -2.421 0.000 0.000) 2.421 8.539 ( 3.468 0.000 0.000) 3.468 8.553 ( -6.936 0.000 0.000) 6.936 8.610 ( -7.242 0.000 0.000) 7.242 8.627 ( -5.625 0.000 0.000) 5.625 8.694 ( -3.284 0.000 0.000) 3.284 8.808 ( 6.913 0.000 0.000) 6.913 9.125 ( -7.804 0.000 0.000) 7.804 13.443 ( 2.520 0.000 0.000) 2.520 13.473 ( 0.840 0.000 0.000) 0.840 13.486 ( 0.233 0.000 0.000) 0.233 13.508 ( -0.707 0.000 0.000) 0.707 13.538 ( 1.966 0.000 0.000) 1.966 13.604 ( -0.411 0.000 0.000) 0.411 13.646 ( -3.551 0.000 0.000) 3.551 13.669 ( -3.902 0.000 0.000) 3.902 13.847 ( -0.481 0.000 0.000) 0.481 13.897 ( -3.173 0.000 0.000) 3.173 13.967 ( -1.022 0.000 0.000) 1.022 14.008 ( -3.633 0.000 0.000) 3.633 14.034 ( 4.733 0.000 0.000) 4.733 14.047 ( 5.710 0.000 0.000) 5.710 14.303 ( -7.050 0.000 0.000) 7.050 14.314 ( -6.390 0.000 0.000) 6.390 15.389 ( 0.765 0.000 0.000) 0.765 15.434 ( -1.077 0.000 0.000) 1.077 15.555 ( 1.731 0.000 0.000) 1.731 15.584 ( -0.474 0.000 0.000) 0.474 15.622 ( -2.834 0.000 0.000) 2.834 15.625 ( -2.128 0.000 0.000) 2.128 15.729 ( -1.726 0.000 0.000) 1.726 15.743 ( -0.611 0.000 0.000) 0.611 15.922 ( -0.149 0.000 0.000) 0.149 15.978 ( -0.216 0.000 0.000) 0.216 15.980 ( -0.817 0.000 0.000) 0.817 16.006 ( -4.916 0.000 0.000) 4.916 16.119 ( -0.695 0.000 0.000) 0.695 16.122 ( -3.435 0.000 0.000) 3.435 16.126 ( -2.572 0.000 0.000) 2.572 16.203 ( -3.030 0.000 0.000) 3.030 16.496 ( 2.067 0.000 0.000) 2.067 16.503 ( 1.731 0.000 0.000) 1.731 16.543 ( 2.607 0.000 0.000) 2.607 16.553 ( 2.013 0.000 0.000) 2.013 16.662 ( 5.394 0.000 0.000) 5.394 16.698 ( 2.325 0.000 0.000) 2.325 16.779 ( 0.976 0.000 0.000) 0.976 16.807 ( -0.235 0.000 0.000) 0.235 16.843 ( 2.381 0.000 0.000) 2.381 16.892 ( 0.771 0.000 0.000) 0.771 16.912 ( 8.482 0.000 0.000) 8.482 17.068 ( 2.682 0.000 0.000) 2.682 17.175 ( 5.475 0.000 0.000) 5.475 17.245 ( 0.929 0.000 0.000) 0.929 17.289 ( 0.376 0.000 0.000) 0.376 17.339 ( -4.612 0.000 0.000) 4.612 ======================= Grid point 3 (4/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -11.946 0.000 0.000) 11.946 0.814 ( 11.946 0.000 0.000) 11.946 0.875 ( -9.541 0.000 0.000) 9.541 0.875 ( 9.541 0.000 0.000) 9.541 1.173 ( -10.451 0.000 0.000) 10.451 1.173 ( 10.451 0.000 0.000) 10.451 1.229 ( -6.786 0.000 0.000) 6.786 1.229 ( 6.786 0.000 0.000) 6.786 1.337 ( -0.762 0.000 0.000) 0.762 1.337 ( 0.762 0.000 0.000) 0.762 1.343 ( -2.815 0.000 0.000) 2.815 1.343 ( 2.815 0.000 0.000) 2.815 1.414 ( -6.415 0.000 0.000) 6.415 1.414 ( 6.415 0.000 0.000) 6.415 1.505 ( -3.387 0.000 0.000) 3.387 1.505 ( 3.387 0.000 0.000) 3.387 1.561 ( -0.032 0.000 0.000) 0.032 1.561 ( 0.032 0.000 0.000) 0.032 1.581 ( -0.598 0.000 0.000) 0.598 1.581 ( 0.598 0.000 0.000) 0.598 1.640 ( -0.442 0.000 0.000) 0.442 1.640 ( 0.442 0.000 0.000) 0.442 1.767 ( -1.308 0.000 0.000) 1.308 1.767 ( 1.308 0.000 0.000) 1.308 1.795 ( -8.926 0.000 0.000) 8.926 1.795 ( 8.926 0.000 0.000) 8.926 1.881 ( -1.780 0.000 0.000) 1.780 1.881 ( 1.780 0.000 0.000) 1.780 1.948 ( -4.333 0.000 0.000) 4.333 1.948 ( 4.333 0.000 0.000) 4.333 2.007 ( -2.293 0.000 0.000) 2.293 2.007 ( 2.293 0.000 0.000) 2.293 2.091 ( -1.723 0.000 0.000) 1.723 2.091 ( 1.723 0.000 0.000) 1.723 2.109 ( -0.410 0.000 0.000) 0.410 2.109 ( 0.410 0.000 0.000) 0.410 2.118 ( -0.556 0.000 0.000) 0.556 2.118 ( 0.556 0.000 0.000) 0.556 2.202 ( -2.298 0.000 0.000) 2.298 2.202 ( 2.298 0.000 0.000) 2.298 2.294 ( -4.058 0.000 0.000) 4.058 2.294 ( 4.058 0.000 0.000) 4.058 2.312 ( -0.551 0.000 0.000) 0.551 2.312 ( 0.551 0.000 0.000) 0.551 2.333 ( -1.463 0.000 0.000) 1.463 2.333 ( 1.463 0.000 0.000) 1.463 2.392 ( -0.256 0.000 0.000) 0.256 2.392 ( 0.256 0.000 0.000) 0.256 2.498 ( -7.570 0.000 0.000) 7.570 2.498 ( 7.570 0.000 0.000) 7.570 2.561 ( -4.143 0.000 0.000) 4.143 2.561 ( 4.143 0.000 0.000) 4.143 2.586 ( -1.452 0.000 0.000) 1.452 2.586 ( 1.452 0.000 0.000) 1.452 2.652 ( -0.277 0.000 0.000) 0.277 2.652 ( 0.277 0.000 0.000) 0.277 2.738 ( -1.878 0.000 0.000) 1.878 2.738 ( 1.878 0.000 0.000) 1.878 2.748 ( -2.321 0.000 0.000) 2.321 2.748 ( 2.321 0.000 0.000) 2.321 2.860 ( -1.349 0.000 0.000) 1.349 2.860 ( 1.349 0.000 0.000) 1.349 2.867 ( -0.834 0.000 0.000) 0.834 2.867 ( 0.834 0.000 0.000) 0.834 3.023 ( -3.333 0.000 0.000) 3.333 3.023 ( 3.333 0.000 0.000) 3.333 3.082 ( -6.312 0.000 0.000) 6.312 3.082 ( 6.312 0.000 0.000) 6.312 3.132 ( -0.603 0.000 0.000) 0.603 3.132 ( 0.603 0.000 0.000) 0.603 3.220 ( -2.973 0.000 0.000) 2.973 3.220 ( 2.973 0.000 0.000) 2.973 4.163 ( -1.015 0.000 0.000) 1.015 4.163 ( 1.015 0.000 0.000) 1.015 4.273 ( -2.143 0.000 0.000) 2.143 4.273 ( 2.143 0.000 0.000) 2.143 4.276 ( -1.196 0.000 0.000) 1.196 4.276 ( 1.196 0.000 0.000) 1.196 4.484 ( -2.394 0.000 0.000) 2.394 4.484 ( 2.394 0.000 0.000) 2.394 4.522 ( -2.599 0.000 0.000) 2.599 4.522 ( 2.599 0.000 0.000) 2.599 4.586 ( -4.426 0.000 0.000) 4.426 4.586 ( 4.426 0.000 0.000) 4.426 4.671 ( -2.507 0.000 0.000) 2.507 4.671 ( 2.507 0.000 0.000) 2.507 4.742 ( -4.524 0.000 0.000) 4.524 4.742 ( 4.524 0.000 0.000) 4.524 4.754 ( -0.002 0.000 0.000) 0.002 4.754 ( 0.002 0.000 0.000) 0.002 5.038 ( -6.464 0.000 0.000) 6.464 5.038 ( 6.464 0.000 0.000) 6.464 5.054 ( -5.359 0.000 0.000) 5.359 5.054 ( 5.359 0.000 0.000) 5.359 5.091 ( -5.121 0.000 0.000) 5.121 5.091 ( 5.121 0.000 0.000) 5.121 5.338 ( -0.853 0.000 0.000) 0.853 5.338 ( 0.853 0.000 0.000) 0.853 5.463 ( -6.074 0.000 0.000) 6.074 5.463 ( 6.074 0.000 0.000) 6.074 5.475 ( -1.724 0.000 0.000) 1.724 5.475 ( 1.724 0.000 0.000) 1.724 5.658 ( -3.037 0.000 0.000) 3.037 5.658 ( 3.037 0.000 0.000) 3.037 5.709 ( -6.872 0.000 0.000) 6.872 5.709 ( 6.872 0.000 0.000) 6.872 5.773 ( -3.336 0.000 0.000) 3.336 5.773 ( 3.336 0.000 0.000) 3.336 5.833 ( -5.491 0.000 0.000) 5.491 5.833 ( 5.491 0.000 0.000) 5.491 6.019 ( -8.085 0.000 0.000) 8.085 6.019 ( 8.085 0.000 0.000) 8.085 6.180 ( -5.517 0.000 0.000) 5.517 6.180 ( 5.517 0.000 0.000) 5.517 6.262 ( -4.620 0.000 0.000) 4.620 6.262 ( 4.620 0.000 0.000) 4.620 6.412 ( -0.876 0.000 0.000) 0.876 6.412 ( 0.876 0.000 0.000) 0.876 6.437 ( -2.300 0.000 0.000) 2.300 6.437 ( 2.300 0.000 0.000) 2.300 6.741 ( -1.164 0.000 0.000) 1.164 6.741 ( 1.164 0.000 0.000) 1.164 6.759 ( -1.945 0.000 0.000) 1.945 6.759 ( 1.945 0.000 0.000) 1.945 6.806 ( -1.352 0.000 0.000) 1.352 6.806 ( 1.352 0.000 0.000) 1.352 7.033 ( -3.501 0.000 0.000) 3.501 7.033 ( 3.501 0.000 0.000) 3.501 7.101 ( -3.250 0.000 0.000) 3.250 7.101 ( 3.250 0.000 0.000) 3.250 7.144 ( -0.766 0.000 0.000) 0.766 7.144 ( 0.766 0.000 0.000) 0.766 7.213 ( -2.979 0.000 0.000) 2.979 7.213 ( 2.979 0.000 0.000) 2.979 7.239 ( -3.346 0.000 0.000) 3.346 7.239 ( 3.346 0.000 0.000) 3.346 7.369 ( -1.985 0.000 0.000) 1.985 7.369 ( 1.985 0.000 0.000) 1.985 7.382 ( -1.777 0.000 0.000) 1.777 7.382 ( 1.777 0.000 0.000) 1.777 7.417 ( -1.706 0.000 0.000) 1.706 7.417 ( 1.706 0.000 0.000) 1.706 7.481 ( -10.129 0.000 0.000) 10.129 7.481 ( 10.129 0.000 0.000) 10.129 7.550 ( -6.628 0.000 0.000) 6.628 7.550 ( 6.628 0.000 0.000) 6.628 7.629 ( -3.944 0.000 0.000) 3.944 7.629 ( 3.944 0.000 0.000) 3.944 7.741 ( -0.612 0.000 0.000) 0.612 7.741 ( 0.612 0.000 0.000) 0.612 7.771 ( -3.062 0.000 0.000) 3.062 7.771 ( 3.062 0.000 0.000) 3.062 7.901 ( -2.653 0.000 0.000) 2.653 7.901 ( 2.653 0.000 0.000) 2.653 8.024 ( -3.129 0.000 0.000) 3.129 8.024 ( 3.129 0.000 0.000) 3.129 8.282 ( -0.424 0.000 0.000) 0.424 8.282 ( 0.424 0.000 0.000) 0.424 8.282 ( -4.868 0.000 0.000) 4.868 8.282 ( 4.868 0.000 0.000) 4.868 8.475 ( -4.536 0.000 0.000) 4.536 8.475 ( 4.536 0.000 0.000) 4.536 8.507 ( -3.689 0.000 0.000) 3.689 8.507 ( 3.689 0.000 0.000) 3.689 8.623 ( -3.589 0.000 0.000) 3.589 8.623 ( 3.589 0.000 0.000) 3.589 8.961 ( -7.989 0.000 0.000) 7.989 8.961 ( 7.989 0.000 0.000) 7.989 13.483 ( -0.987 0.000 0.000) 0.987 13.483 ( 0.987 0.000 0.000) 0.987 13.491 ( -0.879 0.000 0.000) 0.879 13.491 ( 0.879 0.000 0.000) 0.879 13.593 ( -3.361 0.000 0.000) 3.361 13.593 ( 3.361 0.000 0.000) 3.361 13.600 ( -0.701 0.000 0.000) 0.701 13.600 ( 0.701 0.000 0.000) 0.701 13.852 ( -1.148 0.000 0.000) 1.148 13.852 ( 1.148 0.000 0.000) 1.148 13.960 ( -0.837 0.000 0.000) 0.837 13.960 ( 0.837 0.000 0.000) 0.837 14.158 ( -6.926 0.000 0.000) 6.926 14.158 ( 6.926 0.000 0.000) 6.926 14.177 ( -6.840 0.000 0.000) 6.840 14.177 ( 6.840 0.000 0.000) 6.840 15.410 ( -1.225 0.000 0.000) 1.225 15.410 ( 1.225 0.000 0.000) 1.225 15.585 ( -0.790 0.000 0.000) 0.790 15.585 ( 0.790 0.000 0.000) 0.790 15.592 ( -1.658 0.000 0.000) 1.658 15.592 ( 1.658 0.000 0.000) 1.658 15.721 ( -0.955 0.000 0.000) 0.955 15.721 ( 0.955 0.000 0.000) 0.955 15.936 ( -1.794 0.000 0.000) 1.794 15.936 ( 1.794 0.000 0.000) 1.794 15.973 ( -0.070 0.000 0.000) 0.070 15.973 ( 0.070 0.000 0.000) 0.070 16.093 ( -0.365 0.000 0.000) 0.365 16.093 ( 0.365 0.000 0.000) 0.365 16.142 ( -2.529 0.000 0.000) 2.529 16.142 ( 2.529 0.000 0.000) 2.529 16.519 ( -0.172 0.000 0.000) 0.172 16.519 ( 0.172 0.000 0.000) 0.172 16.571 ( -0.202 0.000 0.000) 0.202 16.571 ( 0.202 0.000 0.000) 0.202 16.717 ( -0.529 0.000 0.000) 0.529 16.717 ( 0.529 0.000 0.000) 0.529 16.797 ( -0.723 0.000 0.000) 0.723 16.797 ( 0.723 0.000 0.000) 0.723 16.889 ( -1.434 0.000 0.000) 1.434 16.889 ( 1.434 0.000 0.000) 1.434 17.056 ( -4.552 0.000 0.000) 4.552 17.056 ( 4.552 0.000 0.000) 4.552 17.264 ( -2.907 0.000 0.000) 2.907 17.264 ( 2.907 0.000 0.000) 2.907 17.267 ( -1.820 0.000 0.000) 1.820 17.267 ( 1.820 0.000 0.000) 1.820 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 0.000 14.235 0.000) 14.235 0.281 ( 0.000 14.436 0.000) 14.436 0.651 ( 0.000 31.970 0.000) 31.970 0.760 ( 0.000 -9.760 0.000) 9.760 0.763 ( 0.000 -6.244 0.000) 6.244 0.931 ( 0.000 9.676 0.000) 9.676 1.094 ( 0.000 3.175 0.000) 3.175 1.140 ( 0.000 2.196 0.000) 2.196 1.216 ( 0.000 6.911 0.000) 6.911 1.247 ( 0.000 8.036 0.000) 8.036 1.280 ( 0.000 -3.245 0.000) 3.245 1.305 ( 0.000 -5.320 0.000) 5.320 1.356 ( 0.000 9.467 0.000) 9.467 1.399 ( 0.000 0.426 0.000) 0.426 1.420 ( 0.000 1.242 0.000) 1.242 1.447 ( 0.000 -1.302 0.000) 1.302 1.477 ( 0.000 -0.214 0.000) 0.214 1.541 ( 0.000 -0.178 0.000) 0.178 1.563 ( 0.000 2.991 0.000) 2.991 1.597 ( 0.000 3.687 0.000) 3.687 1.626 ( 0.000 -2.635 0.000) 2.635 1.672 ( 0.000 1.728 0.000) 1.728 1.704 ( 0.000 -1.109 0.000) 1.109 1.724 ( 0.000 5.567 0.000) 5.567 1.725 ( 0.000 -3.488 0.000) 3.488 1.736 ( 0.000 -3.087 0.000) 3.087 1.750 ( 0.000 -5.603 0.000) 5.603 1.776 ( 0.000 -7.269 0.000) 7.269 1.860 ( 0.000 2.229 0.000) 2.229 1.876 ( 0.000 -9.565 0.000) 9.565 1.948 ( 0.000 -2.379 0.000) 2.379 1.970 ( 0.000 -0.662 0.000) 0.662 1.997 ( 0.000 -1.543 0.000) 1.543 2.002 ( 0.000 -0.338 0.000) 0.338 2.026 ( 0.000 -0.469 0.000) 0.469 2.043 ( 0.000 1.683 0.000) 1.683 2.121 ( 0.000 2.227 0.000) 2.227 2.136 ( 0.000 1.784 0.000) 1.784 2.161 ( 0.000 7.064 0.000) 7.064 2.198 ( 0.000 1.217 0.000) 1.217 2.227 ( 0.000 1.141 0.000) 1.141 2.276 ( 0.000 -1.110 0.000) 1.110 2.332 ( 0.000 -4.188 0.000) 4.188 2.352 ( 0.000 -1.563 0.000) 1.563 2.356 ( 0.000 -2.217 0.000) 2.217 2.406 ( 0.000 0.657 0.000) 0.657 2.413 ( 0.000 0.742 0.000) 0.742 2.439 ( 0.000 0.068 0.000) 0.068 2.471 ( 0.000 1.246 0.000) 1.246 2.504 ( 0.000 -1.148 0.000) 1.148 2.534 ( 0.000 -2.381 0.000) 2.381 2.542 ( 0.000 3.793 0.000) 3.793 2.551 ( 0.000 -5.368 0.000) 5.368 2.607 ( 0.000 -0.867 0.000) 0.867 2.619 ( 0.000 1.110 0.000) 1.110 2.653 ( 0.000 -1.012 0.000) 1.012 2.670 ( 0.000 -4.431 0.000) 4.431 2.730 ( 0.000 -4.894 0.000) 4.894 2.732 ( 0.000 0.835 0.000) 0.835 2.802 ( 0.000 0.753 0.000) 0.753 2.807 ( 0.000 -2.620 0.000) 2.620 2.837 ( 0.000 -0.407 0.000) 0.407 2.889 ( 0.000 1.346 0.000) 1.346 2.918 ( 0.000 -0.456 0.000) 0.456 3.022 ( 0.000 -0.787 0.000) 0.787 3.054 ( 0.000 -1.318 0.000) 1.318 3.080 ( 0.000 0.868 0.000) 0.868 3.118 ( 0.000 -0.721 0.000) 0.721 3.157 ( 0.000 3.978 0.000) 3.978 3.177 ( 0.000 0.238 0.000) 0.238 3.203 ( 0.000 -1.136 0.000) 1.136 3.321 ( 0.000 -3.990 0.000) 3.990 4.013 ( 0.000 2.275 0.000) 2.275 4.125 ( 0.000 -2.556 0.000) 2.556 4.166 ( 0.000 2.335 0.000) 2.335 4.185 ( 0.000 1.793 0.000) 1.793 4.237 ( 0.000 0.030 0.000) 0.030 4.293 ( 0.000 -2.466 0.000) 2.466 4.313 ( 0.000 3.004 0.000) 3.004 4.450 ( 0.000 0.590 0.000) 0.590 4.463 ( 0.000 -0.483 0.000) 0.483 4.484 ( 0.000 -4.369 0.000) 4.369 4.573 ( 0.000 1.483 0.000) 1.483 4.601 ( 0.000 -1.493 0.000) 1.493 4.606 ( 0.000 -2.032 0.000) 2.032 4.670 ( 0.000 0.602 0.000) 0.602 4.706 ( 0.000 2.881 0.000) 2.881 4.716 ( 0.000 -2.767 0.000) 2.767 4.740 ( 0.000 -2.508 0.000) 2.508 4.747 ( 0.000 2.913 0.000) 2.913 4.785 ( 0.000 -0.946 0.000) 0.946 4.812 ( 0.000 -0.580 0.000) 0.580 4.848 ( 0.000 2.329 0.000) 2.329 4.919 ( 0.000 -0.536 0.000) 0.536 5.132 ( 0.000 4.204 0.000) 4.204 5.206 ( 0.000 0.740 0.000) 0.740 5.318 ( 0.000 -0.667 0.000) 0.667 5.324 ( 0.000 -1.984 0.000) 1.984 5.416 ( 0.000 -0.421 0.000) 0.421 5.422 ( 0.000 -0.661 0.000) 0.661 5.450 ( 0.000 0.639 0.000) 0.639 5.502 ( 0.000 -1.534 0.000) 1.534 5.581 ( 0.000 -0.683 0.000) 0.683 5.615 ( 0.000 -1.923 0.000) 1.923 5.673 ( 0.000 3.637 0.000) 3.637 5.715 ( 0.000 0.403 0.000) 0.403 5.733 ( 0.000 -1.630 0.000) 1.630 5.792 ( 0.000 -2.010 0.000) 2.010 5.796 ( 0.000 3.464 0.000) 3.464 5.857 ( 0.000 4.255 0.000) 4.255 5.901 ( 0.000 2.366 0.000) 2.366 5.980 ( 0.000 -4.301 0.000) 4.301 6.068 ( 0.000 4.721 0.000) 4.721 6.190 ( 0.000 -0.729 0.000) 0.729 6.321 ( 0.000 2.703 0.000) 2.703 6.411 ( 0.000 -0.539 0.000) 0.539 6.415 ( 0.000 -1.206 0.000) 1.206 6.464 ( 0.000 -3.530 0.000) 3.530 6.535 ( 0.000 -1.567 0.000) 1.567 6.536 ( 0.000 -1.260 0.000) 1.260 6.585 ( 0.000 2.163 0.000) 2.163 6.602 ( 0.000 0.875 0.000) 0.875 6.667 ( 0.000 4.150 0.000) 4.150 6.696 ( 0.000 0.047 0.000) 0.047 6.710 ( 0.000 -0.531 0.000) 0.531 6.719 ( 0.000 2.301 0.000) 2.301 6.783 ( 0.000 0.495 0.000) 0.495 6.841 ( 0.000 -3.150 0.000) 3.150 6.961 ( 0.000 2.147 0.000) 2.147 7.015 ( 0.000 1.357 0.000) 1.357 7.060 ( 0.000 -3.311 0.000) 3.311 7.153 ( 0.000 -4.259 0.000) 4.259 7.243 ( 0.000 2.294 0.000) 2.294 7.253 ( 0.000 -0.113 0.000) 0.113 7.283 ( 0.000 2.248 0.000) 2.248 7.332 ( 0.000 1.582 0.000) 1.582 7.332 ( 0.000 0.337 0.000) 0.337 7.385 ( 0.000 0.832 0.000) 0.832 7.396 ( 0.000 -1.400 0.000) 1.400 7.406 ( 0.000 1.698 0.000) 1.698 7.423 ( 0.000 -2.122 0.000) 2.122 7.426 ( 0.000 1.781 0.000) 1.781 7.463 ( 0.000 -4.013 0.000) 4.013 7.498 ( 0.000 8.167 0.000) 8.167 7.578 ( 0.000 -6.663 0.000) 6.663 7.617 ( 0.000 2.938 0.000) 2.938 7.700 ( 0.000 2.025 0.000) 2.025 7.756 ( 0.000 -3.264 0.000) 3.264 7.780 ( 0.000 -0.893 0.000) 0.893 7.868 ( 0.000 -1.301 0.000) 1.301 7.903 ( 0.000 2.509 0.000) 2.509 7.944 ( 0.000 -5.676 0.000) 5.676 7.947 ( 0.000 -9.791 0.000) 9.791 7.979 ( 0.000 4.577 0.000) 4.577 8.120 ( 0.000 -2.121 0.000) 2.121 8.135 ( 0.000 -2.966 0.000) 2.966 8.208 ( 0.000 1.681 0.000) 1.681 8.250 ( 0.000 4.463 0.000) 4.463 8.366 ( 0.000 9.365 0.000) 9.365 8.383 ( 0.000 -1.566 0.000) 1.566 8.404 ( 0.000 -3.520 0.000) 3.520 8.553 ( 0.000 2.356 0.000) 2.356 8.671 ( 0.000 -4.809 0.000) 4.809 8.747 ( 0.000 -3.694 0.000) 3.694 8.749 ( 0.000 2.359 0.000) 2.359 8.771 ( 0.000 0.073 0.000) 0.073 9.127 ( 0.000 5.411 0.000) 5.411 9.294 ( 0.000 -2.313 0.000) 2.313 13.387 ( 0.000 0.586 0.000) 0.586 13.437 ( 0.000 -1.853 0.000) 1.853 13.468 ( 0.000 -0.019 0.000) 0.019 13.508 ( 0.000 -1.332 0.000) 1.332 13.567 ( 0.000 5.707 0.000) 5.707 13.644 ( 0.000 3.153 0.000) 3.153 13.753 ( 0.000 -1.764 0.000) 1.764 13.767 ( 0.000 1.488 0.000) 1.488 13.851 ( 0.000 -1.825 0.000) 1.825 13.863 ( 0.000 -6.895 0.000) 6.895 13.915 ( 0.000 0.423 0.000) 0.423 13.954 ( 0.000 -2.002 0.000) 2.002 14.121 ( 0.000 7.175 0.000) 7.175 14.172 ( 0.000 4.926 0.000) 4.926 14.412 ( 0.000 -5.192 0.000) 5.192 14.443 ( 0.000 -7.294 0.000) 7.294 15.391 ( 0.000 1.439 0.000) 1.439 15.474 ( 0.000 -2.748 0.000) 2.748 15.476 ( 0.000 1.981 0.000) 1.981 15.609 ( 0.000 3.591 0.000) 3.591 15.624 ( 0.000 -5.936 0.000) 5.936 15.738 ( 0.000 -2.613 0.000) 2.613 15.905 ( 0.000 7.883 0.000) 7.883 16.006 ( 0.000 3.452 0.000) 3.452 16.045 ( 0.000 5.747 0.000) 5.747 16.066 ( 0.000 4.275 0.000) 4.275 16.132 ( 0.000 -2.608 0.000) 2.608 16.138 ( 0.000 -0.824 0.000) 0.824 16.176 ( 0.000 -2.347 0.000) 2.347 16.248 ( 0.000 -1.920 0.000) 1.920 16.298 ( 0.000 -0.698 0.000) 0.698 16.312 ( 0.000 -0.655 0.000) 0.655 16.361 ( 0.000 1.814 0.000) 1.814 16.377 ( 0.000 -0.483 0.000) 0.483 16.413 ( 0.000 -1.046 0.000) 1.046 16.417 ( 0.000 0.389 0.000) 0.389 16.417 ( 0.000 -0.877 0.000) 0.877 16.425 ( 0.000 -0.291 0.000) 0.291 16.605 ( 0.000 1.017 0.000) 1.017 16.662 ( 0.000 -1.188 0.000) 1.188 16.783 ( 0.000 2.997 0.000) 2.997 16.830 ( 0.000 2.895 0.000) 2.895 16.838 ( 0.000 3.213 0.000) 3.213 16.944 ( 0.000 -3.671 0.000) 3.671 16.972 ( 0.000 -2.814 0.000) 2.814 17.076 ( 0.000 -8.255 0.000) 8.255 17.357 ( 0.000 5.840 0.000) 5.840 17.521 ( 0.000 -2.630 0.000) 2.630 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 11.979 9.174 0.000) 15.088 0.651 ( 9.874 20.190 0.000) 22.475 0.794 ( 24.729 11.392 0.000) 27.227 0.823 ( 5.928 -8.729 0.000) 10.551 0.932 ( 10.055 7.418 0.000) 12.495 1.005 ( 9.037 1.077 0.000) 9.101 1.124 ( 2.933 2.927 0.000) 4.144 1.208 ( -1.058 6.419 0.000) 6.506 1.216 ( -0.161 -0.198 0.000) 0.255 1.296 ( 8.755 0.062 0.000) 8.756 1.341 ( 2.614 6.507 0.000) 7.012 1.353 ( 2.752 1.088 0.000) 2.959 1.395 ( 2.594 0.517 0.000) 2.645 1.419 ( 1.976 2.822 0.000) 3.445 1.435 ( 0.762 -0.163 0.000) 0.780 1.471 ( 6.551 1.795 0.000) 6.793 1.527 ( -1.205 0.505 0.000) 1.307 1.536 ( 2.786 0.280 0.000) 2.800 1.572 ( -2.559 0.603 0.000) 2.629 1.601 ( 5.522 2.951 0.000) 6.261 1.604 ( -2.392 -1.282 0.000) 2.714 1.652 ( -1.160 3.125 0.000) 3.333 1.695 ( -1.568 -1.291 0.000) 2.031 1.695 ( -0.635 0.693 0.000) 0.940 1.717 ( -1.071 -2.280 0.000) 2.519 1.771 ( 0.776 -3.899 0.000) 3.976 1.809 ( 0.237 -2.376 0.000) 2.387 1.812 ( 4.369 -5.046 0.000) 6.675 1.862 ( 2.621 -8.246 0.000) 8.652 1.929 ( 1.559 0.252 0.000) 1.579 1.935 ( -1.009 -2.782 0.000) 2.959 1.967 ( 3.520 0.639 0.000) 3.578 1.995 ( -0.920 -0.094 0.000) 0.925 2.016 ( -0.995 -0.231 0.000) 1.021 2.046 ( 3.229 -1.073 0.000) 3.403 2.065 ( 3.459 1.896 0.000) 3.944 2.133 ( 0.323 2.298 0.000) 2.320 2.151 ( 2.089 1.231 0.000) 2.425 2.182 ( 1.242 0.451 0.000) 1.321 2.187 ( -6.308 5.391 0.000) 8.298 2.206 ( 0.622 2.237 0.000) 2.321 2.221 ( 0.336 2.667 0.000) 2.688 2.262 ( -0.740 -0.196 0.000) 0.765 2.348 ( -0.674 -4.059 0.000) 4.115 2.361 ( 0.530 -1.795 0.000) 1.871 2.402 ( -2.344 -0.275 0.000) 2.360 2.403 ( 1.398 -1.471 0.000) 2.030 2.416 ( -0.536 0.808 0.000) 0.969 2.419 ( -3.995 -0.898 0.000) 4.094 2.439 ( -3.017 1.279 0.000) 3.277 2.517 ( -1.063 -1.482 0.000) 1.824 2.545 ( -0.195 -3.471 0.000) 3.477 2.572 ( 1.059 3.700 0.000) 3.848 2.597 ( -1.010 -0.385 0.000) 1.081 2.627 ( 1.330 -0.836 0.000) 1.571 2.683 ( -2.831 -1.396 0.000) 3.157 2.693 ( 3.638 0.323 0.000) 3.653 2.697 ( 0.996 -1.614 0.000) 1.897 2.745 ( -2.234 -0.641 0.000) 2.325 2.756 ( -0.303 -0.807 0.000) 0.862 2.805 ( -0.762 -1.767 0.000) 1.925 2.825 ( 4.096 -3.893 0.000) 5.651 2.954 ( -0.830 -0.660 0.000) 1.060 2.959 ( 4.655 -0.406 0.000) 4.673 2.991 ( 1.475 0.375 0.000) 1.522 3.007 ( -3.781 -0.610 0.000) 3.830 3.055 ( -2.146 0.216 0.000) 2.157 3.085 ( -2.918 -0.519 0.000) 2.964 3.149 ( -0.781 2.356 0.000) 2.482 3.192 ( -1.222 -0.575 0.000) 1.351 3.219 ( 1.812 -0.042 0.000) 1.813 3.292 ( -2.869 -2.861 0.000) 4.052 4.072 ( 5.223 1.402 0.000) 5.408 4.150 ( 1.665 -2.128 0.000) 2.701 4.171 ( 0.771 1.114 0.000) 1.355 4.220 ( -1.084 0.276 0.000) 1.119 4.229 ( 3.105 3.007 0.000) 4.322 4.348 ( 2.768 -0.592 0.000) 2.830 4.355 ( 4.556 -0.153 0.000) 4.558 4.450 ( -2.404 3.391 0.000) 4.156 4.461 ( -0.703 -1.823 0.000) 1.954 4.486 ( -0.100 -0.341 0.000) 0.355 4.500 ( 0.535 -1.491 0.000) 1.584 4.562 ( -0.487 -2.547 0.000) 2.593 4.638 ( 1.118 -1.645 0.000) 1.990 4.667 ( -1.788 -1.171 0.000) 2.137 4.674 ( 0.725 -0.861 0.000) 1.126 4.736 ( 1.507 -1.193 0.000) 1.922 4.760 ( 1.637 3.133 0.000) 3.535 4.798 ( 3.268 -0.853 0.000) 3.378 4.828 ( 1.129 0.269 0.000) 1.160 4.844 ( 3.159 0.139 0.000) 3.162 4.893 ( 4.023 2.281 0.000) 4.625 4.977 ( 5.230 -1.182 0.000) 5.362 5.113 ( -1.250 3.265 0.000) 3.496 5.188 ( -0.940 -0.860 0.000) 1.275 5.314 ( -0.296 -0.070 0.000) 0.304 5.341 ( 0.086 -1.846 0.000) 1.848 5.393 ( 0.145 0.697 0.000) 0.712 5.427 ( -0.123 -0.529 0.000) 0.543 5.478 ( 1.436 0.285 0.000) 1.464 5.501 ( 0.497 -1.133 0.000) 1.237 5.601 ( 1.573 -0.757 0.000) 1.746 5.623 ( 0.783 -1.538 0.000) 1.726 5.700 ( -0.967 0.158 0.000) 0.979 5.716 ( 3.648 2.416 0.000) 4.376 5.734 ( -0.126 0.120 0.000) 0.173 5.764 ( -2.582 2.201 0.000) 3.393 5.853 ( 2.370 4.657 0.000) 5.226 5.908 ( 1.405 3.297 0.000) 3.584 6.009 ( 2.267 -3.868 0.000) 4.483 6.014 ( 3.833 -3.872 0.000) 5.448 6.086 ( 0.459 2.791 0.000) 2.828 6.178 ( -0.675 -0.607 0.000) 0.908 6.382 ( -2.721 0.127 0.000) 2.724 6.386 ( -1.611 -1.573 0.000) 2.251 6.412 ( -2.962 -2.824 0.000) 4.092 6.451 ( 3.125 -6.413 0.000) 7.134 6.558 ( 1.583 0.289 0.000) 1.609 6.576 ( -1.722 3.530 0.000) 3.928 6.618 ( 4.898 -2.350 0.000) 5.433 6.629 ( 1.820 -0.213 0.000) 1.833 6.663 ( 1.217 0.371 0.000) 1.272 6.685 ( -0.439 -0.371 0.000) 0.575 6.773 ( 4.615 -1.523 0.000) 4.860 6.781 ( 2.303 0.217 0.000) 2.313 6.809 ( 6.606 1.664 0.000) 6.813 6.886 ( 4.880 -2.113 0.000) 5.318 6.984 ( 2.043 1.936 0.000) 2.815 7.040 ( 2.920 1.669 0.000) 3.364 7.094 ( 2.515 -3.709 0.000) 4.481 7.132 ( -3.620 4.155 0.000) 5.511 7.199 ( -2.650 2.325 0.000) 3.526 7.218 ( 1.911 -5.721 0.000) 6.031 7.271 ( -3.052 2.858 0.000) 4.181 7.291 ( -3.126 1.312 0.000) 3.390 7.298 ( -3.485 -1.713 0.000) 3.883 7.364 ( 0.518 1.133 0.000) 1.246 7.385 ( -0.418 0.240 0.000) 0.482 7.438 ( -0.123 2.131 0.000) 2.134 7.447 ( 0.596 -1.233 0.000) 1.369 7.481 ( 3.045 -4.551 0.000) 5.476 7.493 ( -0.377 7.252 0.000) 7.262 7.524 ( 5.852 -6.960 0.000) 9.093 7.587 ( 0.427 -4.163 0.000) 4.185 7.604 ( -1.186 1.917 0.000) 2.255 7.678 ( -1.318 1.116 0.000) 1.727 7.746 ( -2.866 -2.135 0.000) 3.574 7.763 ( 0.497 -3.952 0.000) 3.983 7.835 ( -3.800 -3.945 0.000) 5.478 7.852 ( -4.873 2.736 0.000) 5.588 7.913 ( -3.034 -4.530 0.000) 5.452 7.930 ( -2.421 -2.077 0.000) 3.190 7.945 ( -1.563 0.248 0.000) 1.583 8.040 ( -7.633 -2.129 0.000) 7.925 8.136 ( -0.281 -6.613 0.000) 6.619 8.182 ( -1.490 5.462 0.000) 5.662 8.257 ( 0.246 5.610 0.000) 5.615 8.345 ( -0.281 6.858 0.000) 6.864 8.368 ( -1.045 4.166 0.000) 4.295 8.447 ( 2.970 -1.451 0.000) 3.306 8.537 ( -3.008 2.321 0.000) 3.800 8.646 ( -3.823 0.406 0.000) 3.844 8.666 ( -1.743 -1.832 0.000) 2.529 8.701 ( -4.437 -3.511 0.000) 5.658 8.725 ( -4.312 -0.526 0.000) 4.343 8.969 ( -7.664 12.494 0.000) 14.657 9.235 ( -5.441 -2.884 0.000) 6.158 13.403 ( 1.511 0.485 0.000) 1.587 13.443 ( 0.674 -1.416 0.000) 1.568 13.474 ( 0.540 -0.122 0.000) 0.553 13.506 ( -0.156 -1.137 0.000) 1.148 13.571 ( 0.063 5.325 0.000) 5.325 13.637 ( -0.693 2.637 0.000) 2.727 13.720 ( -3.002 -1.036 0.000) 3.175 13.737 ( -3.000 0.215 0.000) 3.008 13.852 ( 0.013 -1.392 0.000) 1.392 13.890 ( 2.849 -5.469 0.000) 6.167 13.906 ( 1.259 -1.860 0.000) 2.246 13.930 ( -1.870 -2.069 0.000) 2.789 14.087 ( -3.103 6.317 0.000) 7.038 14.134 ( -3.414 4.604 0.000) 5.732 14.373 ( -3.785 -4.920 0.000) 6.207 14.380 ( -5.052 -5.536 0.000) 7.495 15.393 ( 0.289 1.456 0.000) 1.484 15.467 ( -0.602 1.227 0.000) 1.367 15.484 ( 0.662 -2.486 0.000) 2.573 15.600 ( -1.989 -4.951 0.000) 5.335 15.617 ( 0.430 2.557 0.000) 2.593 15.705 ( -2.674 -1.238 0.000) 2.947 15.839 ( -4.827 4.710 0.000) 6.744 15.864 ( -7.488 5.848 0.000) 9.501 15.981 ( -2.222 3.854 0.000) 4.449 16.040 ( -1.750 3.494 0.000) 3.908 16.041 ( -1.320 5.341 0.000) 5.502 16.109 ( -4.433 -0.843 0.000) 4.512 16.158 ( -3.922 -1.692 0.000) 4.272 16.176 ( -4.184 -1.334 0.000) 4.392 16.209 ( -4.831 -1.014 0.000) 4.936 16.251 ( -1.891 -1.191 0.000) 2.235 16.436 ( 4.070 0.089 0.000) 4.071 16.443 ( 3.626 -0.452 0.000) 3.654 16.486 ( 4.982 1.455 0.000) 5.190 16.501 ( 7.938 0.361 0.000) 7.946 16.513 ( 4.756 1.354 0.000) 4.946 16.603 ( 4.154 -2.472 0.000) 4.834 16.704 ( 6.780 -8.416 0.000) 10.807 16.705 ( 3.139 -3.024 0.000) 4.359 16.802 ( 2.043 4.145 0.000) 4.622 16.847 ( 0.990 3.769 0.000) 3.897 16.865 ( 3.827 4.244 0.000) 5.715 16.987 ( 3.312 -3.009 0.000) 4.475 17.027 ( 5.417 -3.144 0.000) 6.263 17.095 ( 1.803 -8.112 0.000) 8.310 17.362 ( 0.224 5.107 0.000) 5.112 17.465 ( -4.340 0.953 0.000) 4.444 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 13.185 5.780 0.000) 14.397 0.793 ( 7.225 19.072 0.000) 20.394 0.974 ( 8.043 -6.457 0.000) 10.314 1.067 ( 1.044 7.251 0.000) 7.326 1.118 ( 1.764 10.052 0.000) 10.206 1.123 ( -4.635 7.386 0.000) 8.720 1.217 ( 6.122 -0.517 0.000) 6.144 1.250 ( 3.403 -4.775 0.000) 5.864 1.291 ( 9.897 -0.879 0.000) 9.936 1.338 ( -1.859 0.923 0.000) 2.075 1.366 ( 1.695 1.202 0.000) 2.078 1.408 ( -0.449 1.537 0.000) 1.602 1.421 ( -3.796 4.944 0.000) 6.233 1.470 ( -4.252 -5.128 0.000) 6.661 1.489 ( 10.425 5.275 0.000) 11.684 1.514 ( 1.662 -1.362 0.000) 2.149 1.521 ( 1.846 6.160 0.000) 6.430 1.585 ( 1.156 1.084 0.000) 1.585 1.596 ( 2.437 2.867 0.000) 3.763 1.597 ( 0.128 2.603 0.000) 2.606 1.607 ( 2.865 2.112 0.000) 3.559 1.669 ( -0.666 2.012 0.000) 2.119 1.671 ( -0.822 -0.710 0.000) 1.087 1.703 ( 2.955 -0.407 0.000) 2.983 1.743 ( 4.025 0.850 0.000) 4.114 1.779 ( 0.311 -2.314 0.000) 2.335 1.838 ( -2.141 -4.327 0.000) 4.828 1.855 ( 3.037 -1.747 0.000) 3.503 1.910 ( 2.978 -8.721 0.000) 9.216 1.942 ( 0.629 -4.016 0.000) 4.065 1.959 ( 0.021 3.922 0.000) 3.922 2.002 ( 2.662 -5.862 0.000) 6.438 2.008 ( 2.085 -0.158 0.000) 2.091 2.048 ( 1.633 -1.074 0.000) 1.955 2.096 ( 1.151 -1.215 0.000) 1.673 2.101 ( -0.442 -0.210 0.000) 0.490 2.133 ( -0.954 0.550 0.000) 1.101 2.146 ( 0.460 0.901 0.000) 1.011 2.176 ( 0.415 0.127 0.000) 0.434 2.181 ( 2.161 1.649 0.000) 2.718 2.232 ( -0.397 0.971 0.000) 1.049 2.279 ( 2.919 0.204 0.000) 2.926 2.308 ( 3.904 0.069 0.000) 3.904 2.323 ( -0.832 -2.504 0.000) 2.638 2.356 ( -3.234 1.449 0.000) 3.544 2.370 ( -0.717 -0.539 0.000) 0.897 2.377 ( -0.112 -0.440 0.000) 0.454 2.391 ( 1.521 1.410 0.000) 2.074 2.395 ( -0.501 0.546 0.000) 0.741 2.468 ( 4.219 -1.107 0.000) 4.362 2.528 ( 2.013 -1.865 0.000) 2.744 2.575 ( 0.967 -2.612 0.000) 2.785 2.583 ( 2.193 1.008 0.000) 2.414 2.585 ( 0.732 0.870 0.000) 1.137 2.631 ( -2.229 -1.633 0.000) 2.763 2.658 ( 0.891 -1.838 0.000) 2.042 2.699 ( -2.755 0.478 0.000) 2.796 2.704 ( -1.724 -0.154 0.000) 1.731 2.734 ( 0.877 -0.366 0.000) 0.950 2.740 ( 0.638 -1.655 0.000) 1.774 2.854 ( 3.860 0.424 0.000) 3.884 2.898 ( -0.750 -0.555 0.000) 0.933 2.934 ( -3.556 -0.791 0.000) 3.643 2.946 ( 3.710 -2.111 0.000) 4.269 2.953 ( -4.334 -0.356 0.000) 4.349 2.962 ( -2.243 -0.405 0.000) 2.280 3.084 ( 3.063 -0.511 0.000) 3.106 3.094 ( 3.330 -1.993 0.000) 3.881 3.107 ( -3.141 1.554 0.000) 3.505 3.162 ( -1.305 -0.193 0.000) 1.319 3.208 ( -4.838 -0.757 0.000) 4.897 3.232 ( -0.627 -1.653 0.000) 1.768 4.162 ( -0.782 -0.403 0.000) 0.880 4.172 ( 0.684 -1.477 0.000) 1.628 4.196 ( 4.244 1.706 0.000) 4.574 4.249 ( 4.012 0.268 0.000) 4.021 4.293 ( 2.678 4.213 0.000) 4.992 4.340 ( -3.040 1.490 0.000) 3.386 4.414 ( 2.537 -1.424 0.000) 2.909 4.436 ( 0.501 -2.114 0.000) 2.172 4.498 ( -0.654 -1.245 0.000) 1.406 4.500 ( 4.171 0.941 0.000) 4.275 4.510 ( 2.441 -0.123 0.000) 2.444 4.610 ( 2.667 -2.023 0.000) 3.348 4.637 ( -1.285 -1.733 0.000) 2.157 4.649 ( 0.278 -2.198 0.000) 2.216 4.706 ( 2.344 0.591 0.000) 2.418 4.775 ( 1.865 1.444 0.000) 2.358 4.793 ( 0.137 2.592 0.000) 2.596 4.829 ( -1.668 1.310 0.000) 2.121 4.868 ( 4.069 -2.530 0.000) 4.792 4.922 ( 5.049 -0.370 0.000) 5.063 4.990 ( 5.198 1.372 0.000) 5.376 5.071 ( 1.869 -2.256 0.000) 2.930 5.108 ( 0.657 1.504 0.000) 1.641 5.158 ( -2.009 -1.371 0.000) 2.432 5.311 ( 0.583 -0.178 0.000) 0.609 5.320 ( 0.195 -0.195 0.000) 0.276 5.414 ( -0.549 -0.704 0.000) 0.893 5.425 ( 0.617 -0.253 0.000) 0.667 5.517 ( 2.814 3.456 0.000) 4.456 5.541 ( 2.954 0.246 0.000) 2.965 5.644 ( -0.291 -1.298 0.000) 1.330 5.653 ( 3.409 -1.197 0.000) 3.613 5.663 ( -0.867 5.311 0.000) 5.381 5.687 ( -3.050 -2.371 0.000) 3.863 5.732 ( -0.004 -3.369 0.000) 3.369 5.774 ( 1.283 0.197 0.000) 1.298 5.904 ( -3.354 4.282 0.000) 5.439 5.919 ( 3.913 4.171 0.000) 5.720 5.988 ( -6.072 -0.781 0.000) 6.122 6.039 ( -0.134 -4.213 0.000) 4.215 6.116 ( 3.395 2.865 0.000) 4.442 6.205 ( 3.377 -0.015 0.000) 3.377 6.314 ( -3.935 2.028 0.000) 4.427 6.336 ( -2.854 -1.199 0.000) 3.095 6.361 ( -1.957 -2.573 0.000) 3.233 6.424 ( -3.753 -3.033 0.000) 4.826 6.523 ( -2.382 4.529 0.000) 5.117 6.545 ( -2.121 3.002 0.000) 3.676 6.655 ( 1.334 -1.774 0.000) 2.220 6.680 ( 1.418 -2.851 0.000) 3.184 6.722 ( 3.590 -0.061 0.000) 3.591 6.728 ( 4.061 -1.047 0.000) 4.194 6.804 ( 1.170 1.188 0.000) 1.668 6.820 ( 0.361 -0.477 0.000) 0.598 6.989 ( 2.623 1.784 0.000) 3.172 7.018 ( 10.267 1.058 0.000) 10.322 7.058 ( 6.277 -0.763 0.000) 6.323 7.097 ( -2.516 -2.049 0.000) 3.244 7.108 ( 1.836 2.793 0.000) 3.343 7.120 ( 3.512 0.554 0.000) 3.556 7.179 ( -0.024 1.131 0.000) 1.131 7.210 ( -2.522 2.696 0.000) 3.692 7.213 ( -3.364 -2.287 0.000) 4.067 7.269 ( 1.018 -1.176 0.000) 1.555 7.270 ( 5.478 0.747 0.000) 5.529 7.372 ( -1.036 2.095 0.000) 2.337 7.394 ( 0.959 5.099 0.000) 5.188 7.420 ( -1.108 2.642 0.000) 2.865 7.433 ( -0.488 -0.917 0.000) 1.039 7.485 ( 0.137 4.144 0.000) 4.146 7.507 ( -5.064 -2.328 0.000) 5.573 7.536 ( 1.194 -5.315 0.000) 5.447 7.578 ( -2.288 -1.167 0.000) 2.568 7.642 ( 2.035 -4.862 0.000) 5.271 7.650 ( -6.556 0.892 0.000) 6.616 7.682 ( -1.465 -1.888 0.000) 2.389 7.703 ( -4.645 -2.691 0.000) 5.368 7.739 ( -1.894 -2.232 0.000) 2.927 7.811 ( 0.269 -3.472 0.000) 3.483 7.835 ( -7.029 -3.220 0.000) 7.731 7.838 ( -7.517 1.214 0.000) 7.614 7.890 ( -0.321 -1.783 0.000) 1.812 7.920 ( -0.513 -3.876 0.000) 3.909 8.093 ( -3.880 -8.189 0.000) 9.062 8.183 ( 1.199 5.438 0.000) 5.569 8.242 ( -1.432 6.041 0.000) 6.209 8.377 ( 2.309 6.136 0.000) 6.556 8.387 ( 3.998 7.844 0.000) 8.804 8.454 ( -2.568 2.328 0.000) 3.466 8.512 ( 3.092 -2.517 0.000) 3.987 8.583 ( -6.472 -2.583 0.000) 6.969 8.587 ( -3.340 -0.308 0.000) 3.354 8.615 ( -5.805 -1.199 0.000) 5.927 8.657 ( -1.064 -3.410 0.000) 3.572 8.880 ( -0.447 6.690 0.000) 6.705 9.097 ( -7.518 -3.032 0.000) 8.106 13.445 ( 2.476 0.294 0.000) 2.494 13.466 ( 1.498 -0.609 0.000) 1.617 13.486 ( 0.486 0.042 0.000) 0.488 13.502 ( -0.321 -0.570 0.000) 0.654 13.576 ( 0.632 3.532 0.000) 3.588 13.613 ( -1.464 0.881 0.000) 1.709 13.644 ( -3.884 -0.354 0.000) 3.900 13.669 ( -3.248 -0.199 0.000) 3.255 13.854 ( 0.514 0.832 0.000) 0.978 13.893 ( -1.244 -0.241 0.000) 1.267 13.969 ( 3.115 -3.766 0.000) 4.888 13.979 ( 5.224 -3.916 0.000) 6.529 14.013 ( -3.245 3.457 0.000) 4.741 14.063 ( -1.840 2.612 0.000) 3.195 14.256 ( -6.865 -4.611 0.000) 8.270 14.268 ( -6.193 -4.378 0.000) 7.584 15.404 ( 0.784 1.498 0.000) 1.691 15.450 ( -1.086 1.431 0.000) 1.796 15.502 ( 1.056 -3.091 0.000) 3.266 15.558 ( -1.906 -3.527 0.000) 4.009 15.623 ( 0.354 2.080 0.000) 2.110 15.660 ( -1.324 0.666 0.000) 1.482 15.747 ( -3.544 1.671 0.000) 3.918 15.770 ( -3.141 1.546 0.000) 3.501 15.953 ( -0.555 3.031 0.000) 3.081 15.997 ( -2.815 2.293 0.000) 3.631 16.010 ( -0.853 2.566 0.000) 2.704 16.039 ( -2.101 1.838 0.000) 2.792 16.099 ( -1.585 -1.378 0.000) 2.101 16.108 ( -2.383 -1.616 0.000) 2.879 16.131 ( -1.960 0.895 0.000) 2.155 16.204 ( -2.904 -0.405 0.000) 2.932 16.504 ( 2.323 0.877 0.000) 2.483 16.506 ( 2.151 0.450 0.000) 2.197 16.568 ( 2.842 2.482 0.000) 3.773 16.582 ( 2.028 2.766 0.000) 3.430 16.630 ( 4.137 -2.115 0.000) 4.647 16.661 ( 1.787 -2.858 0.000) 3.371 16.752 ( 1.568 -4.323 0.000) 4.598 16.776 ( 1.027 -6.191 0.000) 6.275 16.862 ( 3.227 4.942 0.000) 5.902 16.884 ( 2.223 3.858 0.000) 4.452 16.984 ( 6.867 4.796 0.000) 8.376 17.059 ( 3.099 -2.548 0.000) 4.012 17.143 ( 2.737 -6.806 0.000) 7.336 17.155 ( 6.308 -2.205 0.000) 6.683 17.350 ( -1.749 2.800 0.000) 3.301 17.360 ( -5.803 1.690 0.000) 6.044 ======================= Grid point 10 (8/36) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -4.411 6.677 0.000) 8.003 0.933 ( 4.411 6.677 0.000) 8.003 0.957 ( -1.939 11.070 0.000) 11.238 0.957 ( 1.939 11.070 0.000) 11.238 1.165 ( -6.563 -3.422 0.000) 7.401 1.165 ( 6.563 -3.422 0.000) 7.401 1.271 ( -5.201 1.783 0.000) 5.498 1.271 ( 5.201 1.783 0.000) 5.498 1.313 ( -0.513 0.073 0.000) 0.518 1.313 ( 0.513 0.073 0.000) 0.518 1.343 ( -3.788 2.681 0.000) 4.641 1.343 ( 3.789 2.681 0.000) 4.641 1.429 ( -1.737 0.153 0.000) 1.744 1.429 ( 1.737 0.153 0.000) 1.744 1.520 ( -0.065 1.993 0.000) 1.994 1.520 ( 0.065 1.993 0.000) 1.994 1.586 ( -0.952 2.757 0.000) 2.917 1.586 ( 0.952 2.757 0.000) 2.917 1.648 ( -1.436 3.976 0.000) 4.227 1.648 ( 1.436 3.976 0.000) 4.227 1.653 ( -0.096 2.053 0.000) 2.055 1.653 ( 0.096 2.053 0.000) 2.055 1.750 ( -0.479 -1.731 0.000) 1.797 1.750 ( 0.479 -1.731 0.000) 1.797 1.802 ( -0.816 -0.248 0.000) 0.852 1.802 ( 0.816 -0.248 0.000) 0.852 1.822 ( -7.563 -2.276 0.000) 7.898 1.822 ( 7.563 -2.276 0.000) 7.898 1.944 ( -0.294 -6.093 0.000) 6.100 1.944 ( 0.294 -6.093 0.000) 6.100 1.981 ( -3.500 0.140 0.000) 3.502 1.981 ( 3.500 0.140 0.000) 3.502 2.071 ( -0.345 -2.129 0.000) 2.157 2.071 ( 0.345 -2.129 0.000) 2.157 2.076 ( -0.441 -1.649 0.000) 1.707 2.076 ( 0.441 -1.649 0.000) 1.707 2.139 ( -1.261 1.161 0.000) 1.714 2.139 ( 1.261 1.161 0.000) 1.714 2.201 ( -1.344 -1.257 0.000) 1.840 2.201 ( 1.344 -1.257 0.000) 1.840 2.263 ( -3.985 -0.278 0.000) 3.994 2.263 ( 3.985 -0.278 0.000) 3.994 2.318 ( -0.117 0.131 0.000) 0.176 2.318 ( 0.117 0.131 0.000) 0.176 2.355 ( -0.047 1.315 0.000) 1.316 2.355 ( 0.047 1.315 0.000) 1.316 2.388 ( -0.646 -0.407 0.000) 0.763 2.388 ( 0.646 -0.407 0.000) 0.763 2.503 ( -6.514 0.381 0.000) 6.526 2.503 ( 6.514 0.381 0.000) 6.526 2.559 ( -2.811 -0.430 0.000) 2.844 2.559 ( 2.811 -0.430 0.000) 2.844 2.562 ( -1.127 -1.353 0.000) 1.761 2.562 ( 1.127 -1.353 0.000) 1.761 2.656 ( -0.890 -0.203 0.000) 0.913 2.656 ( 0.890 -0.203 0.000) 0.913 2.700 ( -0.265 -2.271 0.000) 2.287 2.700 ( 0.265 -2.271 0.000) 2.287 2.748 ( -0.238 -0.832 0.000) 0.865 2.748 ( 0.238 -0.832 0.000) 0.865 2.856 ( -0.553 -0.157 0.000) 0.575 2.856 ( 0.553 -0.157 0.000) 0.575 2.886 ( -0.704 1.228 0.000) 1.415 2.886 ( 0.704 1.228 0.000) 1.415 3.024 ( -4.353 0.351 0.000) 4.367 3.024 ( 4.353 0.351 0.000) 4.367 3.071 ( -6.292 -1.114 0.000) 6.390 3.071 ( 6.292 -1.114 0.000) 6.390 3.118 ( -0.307 -1.198 0.000) 1.236 3.118 ( 0.307 -1.198 0.000) 1.236 3.201 ( -2.166 -1.548 0.000) 2.662 3.201 ( 2.166 -1.548 0.000) 2.662 4.158 ( -0.636 -0.405 0.000) 0.754 4.158 ( 0.636 -0.405 0.000) 0.754 4.275 ( -2.770 1.486 0.000) 3.143 4.275 ( 2.770 1.486 0.000) 3.143 4.311 ( -0.545 1.786 0.000) 1.867 4.311 ( 0.545 1.786 0.000) 1.867 4.454 ( -1.431 -2.683 0.000) 3.041 4.454 ( 1.431 -2.683 0.000) 3.041 4.511 ( -1.907 -0.979 0.000) 2.144 4.511 ( 1.907 -0.979 0.000) 2.144 4.592 ( -3.017 0.445 0.000) 3.050 4.592 ( 3.017 0.445 0.000) 3.050 4.646 ( -0.884 -1.838 0.000) 2.039 4.646 ( 0.884 -1.838 0.000) 2.039 4.763 ( -3.332 2.851 0.000) 4.386 4.763 ( 3.332 2.851 0.000) 4.386 4.784 ( -0.570 1.695 0.000) 1.788 4.784 ( 0.570 1.695 0.000) 1.788 4.969 ( -3.886 -4.851 0.000) 6.215 4.969 ( 3.886 -4.851 0.000) 6.215 5.083 ( -2.783 1.096 0.000) 2.991 5.083 ( 2.783 1.096 0.000) 2.991 5.095 ( -4.456 0.218 0.000) 4.461 5.095 ( 4.456 0.218 0.000) 4.461 5.348 ( -1.885 0.996 0.000) 2.131 5.348 ( 1.885 0.996 0.000) 2.131 5.413 ( -3.646 -2.288 0.000) 4.304 5.413 ( 3.646 -2.288 0.000) 4.304 5.545 ( -0.105 4.175 0.000) 4.177 5.545 ( 0.105 4.175 0.000) 4.177 5.661 ( -0.849 0.035 0.000) 0.850 5.661 ( 0.849 0.035 0.000) 0.850 5.698 ( -3.709 -1.071 0.000) 3.861 5.698 ( 3.709 -1.071 0.000) 3.861 5.750 ( -1.107 -1.839 0.000) 2.146 5.750 ( 1.107 -1.839 0.000) 2.146 5.859 ( -2.891 2.481 0.000) 3.809 5.859 ( 2.891 2.481 0.000) 3.809 5.999 ( -3.441 -1.869 0.000) 3.916 5.999 ( 3.441 -1.869 0.000) 3.916 6.203 ( -4.517 2.075 0.000) 4.971 6.203 ( 4.517 2.075 0.000) 4.971 6.287 ( -1.949 1.854 0.000) 2.690 6.287 ( 1.949 1.854 0.000) 2.690 6.353 ( -2.076 -2.823 0.000) 3.504 6.353 ( 2.076 -2.823 0.000) 3.504 6.509 ( -0.938 3.871 0.000) 3.983 6.509 ( 0.938 3.871 0.000) 3.983 6.684 ( -0.988 -3.182 0.000) 3.332 6.684 ( 0.988 -3.182 0.000) 3.332 6.774 ( -0.154 -0.803 0.000) 0.818 6.774 ( 0.154 -0.803 0.000) 0.818 6.822 ( -0.063 2.140 0.000) 2.141 6.822 ( 0.063 2.140 0.000) 2.141 7.035 ( -2.755 -0.061 0.000) 2.756 7.035 ( 2.755 -0.061 0.000) 2.756 7.104 ( -1.823 0.467 0.000) 1.882 7.104 ( 1.823 0.467 0.000) 1.882 7.160 ( -1.228 0.820 0.000) 1.476 7.160 ( 1.228 0.820 0.000) 1.476 7.187 ( -0.314 -1.148 0.000) 1.190 7.187 ( 0.314 -1.148 0.000) 1.190 7.276 ( -5.294 0.703 0.000) 5.341 7.276 ( 5.294 0.703 0.000) 5.341 7.358 ( -0.448 1.437 0.000) 1.505 7.358 ( 0.448 1.437 0.000) 1.505 7.388 ( -3.720 1.354 0.000) 3.959 7.388 ( 3.720 1.354 0.000) 3.959 7.441 ( -3.689 0.503 0.000) 3.723 7.441 ( 3.689 0.503 0.000) 3.723 7.499 ( -3.090 2.548 0.000) 4.005 7.499 ( 3.090 2.548 0.000) 4.005 7.576 ( -6.517 1.945 0.000) 6.801 7.576 ( 6.517 1.945 0.000) 6.801 7.629 ( -2.805 -0.045 0.000) 2.805 7.629 ( 2.805 -0.045 0.000) 2.805 7.653 ( -1.103 -6.076 0.000) 6.175 7.653 ( 1.103 -6.076 0.000) 6.175 7.779 ( -2.326 0.130 0.000) 2.330 7.779 ( 2.326 0.130 0.000) 2.330 7.849 ( -3.130 -4.215 0.000) 5.250 7.849 ( 3.130 -4.215 0.000) 5.250 7.992 ( -5.551 -7.462 0.000) 9.300 7.992 ( 5.551 -7.462 0.000) 9.300 8.212 ( -1.479 5.069 0.000) 5.281 8.212 ( 1.479 5.069 0.000) 5.281 8.442 ( -2.978 4.474 0.000) 5.374 8.442 ( 2.978 4.474 0.000) 5.374 8.475 ( -2.930 0.395 0.000) 2.957 8.475 ( 2.930 0.395 0.000) 2.957 8.511 ( -1.577 1.018 0.000) 1.877 8.511 ( 1.577 1.018 0.000) 1.877 8.599 ( -3.569 -1.937 0.000) 4.061 8.599 ( 3.569 -1.937 0.000) 4.061 8.951 ( -6.238 -0.910 0.000) 6.304 8.951 ( 6.238 -0.910 0.000) 6.304 13.486 ( -0.732 0.167 0.000) 0.751 13.486 ( 0.732 0.167 0.000) 0.751 13.493 ( -0.566 0.129 0.000) 0.580 13.493 ( 0.566 0.129 0.000) 0.580 13.588 ( -1.015 -0.225 0.000) 1.040 13.588 ( 1.015 -0.225 0.000) 1.040 13.613 ( -1.987 0.991 0.000) 2.220 13.613 ( 1.987 0.991 0.000) 2.220 13.874 ( -1.040 2.059 0.000) 2.307 13.874 ( 1.040 2.059 0.000) 2.307 13.970 ( -0.155 1.150 0.000) 1.160 13.970 ( 0.155 1.150 0.000) 1.160 14.108 ( -5.388 -4.593 0.000) 7.080 14.108 ( 5.388 -4.593 0.000) 7.080 14.138 ( -4.798 -3.195 0.000) 5.765 14.138 ( 4.798 -3.195 0.000) 5.765 15.425 ( -1.219 1.490 0.000) 1.926 15.425 ( 1.219 1.490 0.000) 1.926 15.526 ( -1.314 -3.146 0.000) 3.409 15.526 ( 1.314 -3.146 0.000) 3.409 15.639 ( -1.131 1.961 0.000) 2.264 15.639 ( 1.131 1.961 0.000) 2.264 15.721 ( -1.201 -0.129 0.000) 1.208 15.721 ( 1.201 -0.129 0.000) 1.208 15.956 ( -0.988 2.391 0.000) 2.587 15.956 ( 0.988 2.391 0.000) 2.587 16.010 ( -0.805 2.561 0.000) 2.685 16.010 ( 0.805 2.561 0.000) 2.685 16.081 ( -0.153 -0.942 0.000) 0.955 16.081 ( 0.153 -0.942 0.000) 0.955 16.144 ( -2.477 -0.028 0.000) 2.477 16.144 ( 2.477 -0.028 0.000) 2.477 16.528 ( -0.033 0.946 0.000) 0.947 16.528 ( 0.033 0.946 0.000) 0.947 16.600 ( -0.321 2.786 0.000) 2.804 16.600 ( 0.321 2.786 0.000) 2.804 16.674 ( -0.547 -2.966 0.000) 3.016 16.674 ( 0.547 -2.966 0.000) 3.016 16.776 ( -0.732 -4.422 0.000) 4.482 16.776 ( 0.732 -4.422 0.000) 4.482 16.905 ( -0.564 4.196 0.000) 4.234 16.905 ( 0.564 4.196 0.000) 4.234 17.083 ( -1.574 -0.122 0.000) 1.578 17.083 ( 1.574 -0.122 0.000) 1.578 17.214 ( -3.858 -1.238 0.000) 4.052 17.214 ( 3.858 -1.238 0.000) 4.052 17.292 ( -2.905 0.101 0.000) 2.907 17.292 ( 2.905 0.101 0.000) 2.907 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 -2.422 0.000) 2.422 0.522 ( 0.000 2.422 0.000) 2.422 0.557 ( 0.000 -1.095 0.000) 1.095 0.557 ( 0.000 1.095 0.000) 1.095 1.106 ( 0.000 -3.959 0.000) 3.959 1.106 ( 0.000 3.959 0.000) 3.959 1.123 ( 0.000 -15.213 0.000) 15.213 1.123 ( 0.000 15.213 0.000) 15.213 1.203 ( 0.000 -3.410 0.000) 3.410 1.203 ( 0.000 3.410 0.000) 3.410 1.405 ( 0.000 -6.816 0.000) 6.816 1.405 ( 0.000 6.816 0.000) 6.816 1.409 ( 0.000 -3.479 0.000) 3.479 1.409 ( 0.000 3.479 0.000) 3.479 1.467 ( 0.000 -9.781 0.000) 9.781 1.467 ( 0.000 9.781 0.000) 9.781 1.473 ( 0.000 -9.364 0.000) 9.364 1.473 ( 0.000 9.364 0.000) 9.364 1.583 ( 0.000 -10.196 0.000) 10.196 1.583 ( 0.000 10.196 0.000) 10.196 1.653 ( 0.000 -1.834 0.000) 1.834 1.653 ( 0.000 1.834 0.000) 1.834 1.669 ( 0.000 -8.249 0.000) 8.249 1.669 ( 0.000 8.249 0.000) 8.249 1.691 ( 0.000 -1.300 0.000) 1.300 1.691 ( 0.000 1.300 0.000) 1.300 1.692 ( 0.000 -0.445 0.000) 0.445 1.692 ( 0.000 0.445 0.000) 0.445 1.839 ( 0.000 -6.417 0.000) 6.417 1.839 ( 0.000 6.417 0.000) 6.417 1.911 ( 0.000 -2.160 0.000) 2.160 1.911 ( 0.000 2.160 0.000) 2.160 1.988 ( 0.000 -0.716 0.000) 0.716 1.988 ( 0.000 0.716 0.000) 0.716 2.090 ( 0.000 -1.493 0.000) 1.493 2.090 ( 0.000 1.493 0.000) 1.493 2.160 ( 0.000 -1.084 0.000) 1.084 2.160 ( 0.000 1.084 0.000) 1.084 2.222 ( 0.000 -1.928 0.000) 1.928 2.222 ( 0.000 1.928 0.000) 1.928 2.258 ( 0.000 -2.579 0.000) 2.579 2.258 ( 0.000 2.579 0.000) 2.579 2.324 ( 0.000 -0.190 0.000) 0.190 2.324 ( 0.000 0.190 0.000) 0.190 2.356 ( 0.000 -11.781 0.000) 11.781 2.356 ( 0.000 11.781 0.000) 11.781 2.428 ( 0.000 -1.410 0.000) 1.410 2.428 ( 0.000 1.410 0.000) 1.410 2.470 ( 0.000 -3.050 0.000) 3.050 2.470 ( 0.000 3.050 0.000) 3.050 2.499 ( 0.000 -1.067 0.000) 1.067 2.499 ( 0.000 1.067 0.000) 1.067 2.613 ( 0.000 -2.712 0.000) 2.712 2.613 ( 0.000 2.712 0.000) 2.712 2.620 ( 0.000 -1.863 0.000) 1.863 2.620 ( 0.000 1.863 0.000) 1.863 2.642 ( 0.000 -2.969 0.000) 2.969 2.642 ( 0.000 2.969 0.000) 2.969 2.758 ( 0.000 -2.140 0.000) 2.140 2.758 ( 0.000 2.140 0.000) 2.140 2.819 ( 0.000 -1.061 0.000) 1.061 2.819 ( 0.000 1.061 0.000) 1.061 2.909 ( 0.000 -0.665 0.000) 0.665 2.909 ( 0.000 0.665 0.000) 0.665 3.028 ( 0.000 -1.138 0.000) 1.138 3.028 ( 0.000 1.138 0.000) 1.138 3.100 ( 0.000 -1.103 0.000) 1.103 3.100 ( 0.000 1.103 0.000) 1.103 3.184 ( 0.000 -0.672 0.000) 0.672 3.184 ( 0.000 0.672 0.000) 0.672 3.237 ( 0.000 -4.495 0.000) 4.495 3.237 ( 0.000 4.495 0.000) 4.495 4.068 ( 0.000 -3.244 0.000) 3.244 4.068 ( 0.000 3.244 0.000) 3.244 4.215 ( 0.000 -2.311 0.000) 2.311 4.215 ( 0.000 2.311 0.000) 2.311 4.235 ( 0.000 -3.220 0.000) 3.220 4.235 ( 0.000 3.220 0.000) 3.220 4.390 ( 0.000 -4.916 0.000) 4.916 4.390 ( 0.000 4.916 0.000) 4.916 4.456 ( 0.000 -0.242 0.000) 0.242 4.456 ( 0.000 0.242 0.000) 0.242 4.584 ( 0.000 -0.008 0.000) 0.008 4.584 ( 0.000 0.008 0.000) 0.008 4.636 ( 0.000 -4.676 0.000) 4.676 4.636 ( 0.000 4.676 0.000) 4.676 4.698 ( 0.000 -2.000 0.000) 2.000 4.698 ( 0.000 2.000 0.000) 2.000 4.755 ( 0.000 -2.161 0.000) 2.161 4.755 ( 0.000 2.161 0.000) 2.161 4.791 ( 0.000 -1.652 0.000) 1.652 4.791 ( 0.000 1.652 0.000) 1.652 4.894 ( 0.000 -2.111 0.000) 2.111 4.894 ( 0.000 2.111 0.000) 2.111 5.204 ( 0.000 -1.964 0.000) 1.964 5.204 ( 0.000 1.964 0.000) 1.964 5.302 ( 0.000 -0.239 0.000) 0.239 5.302 ( 0.000 0.239 0.000) 0.239 5.413 ( 0.000 -0.181 0.000) 0.181 5.413 ( 0.000 0.181 0.000) 0.181 5.469 ( 0.000 -1.516 0.000) 1.516 5.469 ( 0.000 1.516 0.000) 1.516 5.585 ( 0.000 -1.016 0.000) 1.016 5.585 ( 0.000 1.016 0.000) 1.016 5.718 ( 0.000 -0.153 0.000) 0.153 5.718 ( 0.000 0.153 0.000) 0.153 5.740 ( 0.000 -3.251 0.000) 3.251 5.740 ( 0.000 3.251 0.000) 3.251 5.884 ( 0.000 -5.263 0.000) 5.263 5.884 ( 0.000 5.263 0.000) 5.263 5.918 ( 0.000 -1.339 0.000) 1.339 5.918 ( 0.000 1.339 0.000) 1.339 6.152 ( 0.000 -3.440 0.000) 3.440 6.152 ( 0.000 3.440 0.000) 3.440 6.377 ( 0.000 -2.752 0.000) 2.752 6.377 ( 0.000 2.752 0.000) 2.752 6.414 ( 0.000 -1.325 0.000) 1.325 6.414 ( 0.000 1.325 0.000) 1.325 6.520 ( 0.000 -0.125 0.000) 0.125 6.520 ( 0.000 0.125 0.000) 0.125 6.610 ( 0.000 -0.392 0.000) 0.392 6.610 ( 0.000 0.392 0.000) 0.392 6.700 ( 0.000 -0.410 0.000) 0.410 6.700 ( 0.000 0.410 0.000) 0.410 6.736 ( 0.000 -1.994 0.000) 1.994 6.736 ( 0.000 1.994 0.000) 1.994 6.792 ( 0.000 -0.984 0.000) 0.984 6.792 ( 0.000 0.984 0.000) 0.984 7.002 ( 0.000 -2.495 0.000) 2.495 7.002 ( 0.000 2.495 0.000) 2.495 7.068 ( 0.000 -4.111 0.000) 4.111 7.068 ( 0.000 4.111 0.000) 4.111 7.279 ( 0.000 -2.202 0.000) 2.202 7.279 ( 0.000 2.202 0.000) 2.202 7.314 ( 0.000 -4.075 0.000) 4.075 7.314 ( 0.000 4.075 0.000) 4.075 7.347 ( 0.000 -1.478 0.000) 1.478 7.347 ( 0.000 1.478 0.000) 1.478 7.389 ( 0.000 -0.387 0.000) 0.387 7.389 ( 0.000 0.387 0.000) 0.387 7.435 ( 0.000 -0.939 0.000) 0.939 7.435 ( 0.000 0.939 0.000) 0.939 7.477 ( 0.000 -3.735 0.000) 3.735 7.477 ( 0.000 3.735 0.000) 3.735 7.685 ( 0.000 -3.867 0.000) 3.867 7.685 ( 0.000 3.867 0.000) 3.867 7.707 ( 0.000 -10.115 0.000) 10.115 7.707 ( 0.000 10.115 0.000) 10.115 7.756 ( 0.000 -0.810 0.000) 0.810 7.756 ( 0.000 0.810 0.000) 0.810 7.866 ( 0.000 -1.900 0.000) 1.900 7.866 ( 0.000 1.900 0.000) 1.900 7.995 ( 0.000 -7.265 0.000) 7.265 7.995 ( 0.000 7.265 0.000) 7.265 8.062 ( 0.000 -3.883 0.000) 3.883 8.062 ( 0.000 3.883 0.000) 3.883 8.310 ( 0.000 -6.110 0.000) 6.110 8.310 ( 0.000 6.110 0.000) 6.110 8.334 ( 0.000 -3.714 0.000) 3.714 8.334 ( 0.000 3.714 0.000) 3.714 8.542 ( 0.000 -8.491 0.000) 8.491 8.542 ( 0.000 8.491 0.000) 8.491 8.651 ( 0.000 -6.063 0.000) 6.063 8.651 ( 0.000 6.063 0.000) 6.063 8.771 ( 0.000 -0.333 0.000) 0.333 8.771 ( 0.000 0.333 0.000) 0.333 9.228 ( 0.000 -4.648 0.000) 4.648 9.228 ( 0.000 4.648 0.000) 4.648 13.405 ( 0.000 -1.338 0.000) 1.338 13.405 ( 0.000 1.338 0.000) 1.338 13.481 ( 0.000 -1.246 0.000) 1.246 13.481 ( 0.000 1.246 0.000) 1.246 13.702 ( 0.000 -8.140 0.000) 8.140 13.702 ( 0.000 8.140 0.000) 8.140 13.706 ( 0.000 -3.079 0.000) 3.079 13.706 ( 0.000 3.079 0.000) 3.079 13.811 ( 0.000 -2.048 0.000) 2.048 13.811 ( 0.000 2.048 0.000) 2.048 13.928 ( 0.000 -0.933 0.000) 0.933 13.928 ( 0.000 0.933 0.000) 0.933 14.279 ( 0.000 -9.121 0.000) 9.121 14.279 ( 0.000 9.121 0.000) 9.121 14.290 ( 0.000 -6.967 0.000) 6.967 14.290 ( 0.000 6.967 0.000) 6.967 15.427 ( 0.000 -2.259 0.000) 2.259 15.427 ( 0.000 2.259 0.000) 2.259 15.531 ( 0.000 -3.889 0.000) 3.889 15.531 ( 0.000 3.889 0.000) 3.889 15.678 ( 0.000 -3.528 0.000) 3.528 15.678 ( 0.000 3.528 0.000) 3.528 16.039 ( 0.000 -5.841 0.000) 5.841 16.039 ( 0.000 5.841 0.000) 5.841 16.088 ( 0.000 -4.321 0.000) 4.321 16.088 ( 0.000 4.321 0.000) 4.321 16.132 ( 0.000 -2.415 0.000) 2.415 16.132 ( 0.000 2.415 0.000) 2.415 16.176 ( 0.000 -5.634 0.000) 5.634 16.176 ( 0.000 5.634 0.000) 5.634 16.297 ( 0.000 -0.613 0.000) 0.613 16.297 ( 0.000 0.613 0.000) 0.613 16.385 ( 0.000 -1.319 0.000) 1.319 16.385 ( 0.000 1.319 0.000) 1.319 16.393 ( 0.000 -1.551 0.000) 1.551 16.393 ( 0.000 1.551 0.000) 1.551 16.422 ( 0.000 -0.170 0.000) 0.170 16.422 ( 0.000 0.170 0.000) 0.170 16.633 ( 0.000 -1.728 0.000) 1.728 16.633 ( 0.000 1.728 0.000) 1.728 16.860 ( 0.000 -4.716 0.000) 4.716 16.860 ( 0.000 4.716 0.000) 4.716 16.901 ( 0.000 -4.209 0.000) 4.209 16.901 ( 0.000 4.209 0.000) 4.209 16.931 ( 0.000 -6.534 0.000) 6.534 16.931 ( 0.000 6.534 0.000) 6.534 17.453 ( 0.000 -4.374 0.000) 4.374 17.453 ( 0.000 4.374 0.000) 4.374 ======================= Grid point 16 (10/36) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 7.953 -9.807 0.000) 12.626 0.627 ( 7.953 9.807 0.000) 12.626 0.850 ( 21.940 -7.588 0.000) 23.215 0.850 ( 21.940 7.588 0.000) 23.215 1.101 ( 1.963 -3.302 0.000) 3.842 1.101 ( 1.963 3.302 0.000) 3.842 1.149 ( 1.683 -4.600 0.000) 4.898 1.149 ( 1.683 4.600 0.000) 4.898 1.338 ( 8.478 -2.070 0.000) 8.727 1.338 ( 8.478 2.070 0.000) 8.727 1.391 ( -0.088 -2.178 0.000) 2.180 1.391 ( -0.088 2.178 0.000) 2.180 1.440 ( -2.696 -6.597 0.000) 7.127 1.440 ( -2.696 6.597 0.000) 7.127 1.499 ( 2.492 -4.817 0.000) 5.424 1.499 ( 2.492 4.817 0.000) 5.424 1.506 ( 6.283 -0.273 0.000) 6.288 1.506 ( 6.283 0.273 0.000) 6.288 1.575 ( -0.344 -9.163 0.000) 9.170 1.575 ( -0.344 9.163 0.000) 9.170 1.625 ( -1.422 -2.498 0.000) 2.874 1.625 ( -1.422 2.498 0.000) 2.874 1.682 ( 1.559 -4.853 0.000) 5.097 1.682 ( 1.559 4.853 0.000) 5.097 1.713 ( 2.507 -0.421 0.000) 2.542 1.713 ( 2.507 0.421 0.000) 2.542 1.730 ( 1.913 -1.418 0.000) 2.381 1.730 ( 1.913 1.418 0.000) 2.381 1.812 ( -2.202 -2.621 0.000) 3.423 1.812 ( -2.202 2.621 0.000) 3.423 1.966 ( 2.470 -0.944 0.000) 2.644 1.966 ( 2.470 0.944 0.000) 2.644 2.002 ( 2.379 -0.549 0.000) 2.442 2.002 ( 2.379 0.549 0.000) 2.442 2.102 ( 0.703 -0.110 0.000) 0.711 2.102 ( 0.703 0.110 0.000) 0.711 2.177 ( 2.290 -0.220 0.000) 2.300 2.177 ( 2.290 0.220 0.000) 2.300 2.211 ( -2.602 -1.602 0.000) 3.056 2.211 ( -2.602 1.602 0.000) 3.056 2.242 ( -2.460 -0.048 0.000) 2.460 2.242 ( -2.460 0.048 0.000) 2.460 2.267 ( -1.081 -1.980 0.000) 2.256 2.267 ( -1.081 1.980 0.000) 2.256 2.352 ( 0.104 -2.540 0.000) 2.542 2.352 ( 0.104 2.540 0.000) 2.542 2.401 ( -0.960 -0.061 0.000) 0.962 2.401 ( -0.960 0.061 0.000) 0.962 2.450 ( -2.142 -0.410 0.000) 2.181 2.450 ( -2.142 0.410 0.000) 2.181 2.496 ( -0.129 -0.011 0.000) 0.129 2.496 ( -0.129 0.011 0.000) 0.129 2.599 ( -0.956 -0.189 0.000) 0.975 2.599 ( -0.956 0.189 0.000) 0.975 2.636 ( 1.089 -0.647 0.000) 1.267 2.636 ( 1.089 0.647 0.000) 1.267 2.698 ( 1.079 -0.021 0.000) 1.080 2.698 ( 1.079 0.021 0.000) 1.080 2.736 ( 0.830 -0.113 0.000) 0.837 2.736 ( 0.830 0.113 0.000) 0.837 2.781 ( -0.228 -0.001 0.000) 0.228 2.781 ( -0.228 0.001 0.000) 0.228 2.952 ( 1.742 -0.010 0.000) 1.742 2.952 ( 1.742 0.010 0.000) 1.742 2.999 ( -1.636 -0.017 0.000) 1.636 2.999 ( -1.636 0.017 0.000) 1.636 3.069 ( -2.501 -0.409 0.000) 2.534 3.069 ( -2.501 0.409 0.000) 2.534 3.181 ( -0.866 -0.161 0.000) 0.881 3.181 ( -0.866 0.161 0.000) 0.881 3.237 ( -0.491 -1.328 0.000) 1.416 3.237 ( -0.491 1.328 0.000) 1.416 4.107 ( 3.354 -1.860 0.000) 3.836 4.107 ( 3.354 1.860 0.000) 3.836 4.203 ( -0.216 -0.837 0.000) 0.865 4.203 ( -0.216 0.837 0.000) 0.865 4.293 ( 3.973 -2.231 0.000) 4.557 4.293 ( 3.973 2.231 0.000) 4.557 4.410 ( 1.386 -2.996 0.000) 3.300 4.410 ( 1.386 2.996 0.000) 3.300 4.475 ( 1.173 -0.148 0.000) 1.183 4.475 ( 1.173 0.148 0.000) 1.183 4.518 ( -2.810 -1.957 0.000) 3.424 4.518 ( -2.810 1.957 0.000) 3.424 4.629 ( -1.116 -0.452 0.000) 1.204 4.629 ( -1.116 0.452 0.000) 1.204 4.695 ( 1.620 -2.115 0.000) 2.664 4.695 ( 1.620 2.115 0.000) 2.664 4.796 ( 1.897 -0.172 0.000) 1.904 4.796 ( 1.897 0.172 0.000) 1.904 4.836 ( 3.228 -0.621 0.000) 3.287 4.836 ( 3.228 0.621 0.000) 3.287 4.942 ( 4.308 -1.818 0.000) 4.676 4.942 ( 4.308 1.818 0.000) 4.676 5.167 ( -2.411 -0.628 0.000) 2.491 5.167 ( -2.411 0.628 0.000) 2.491 5.316 ( 0.519 -0.450 0.000) 0.687 5.316 ( 0.519 0.450 0.000) 0.687 5.411 ( -0.179 -1.063 0.000) 1.078 5.411 ( -0.179 1.063 0.000) 1.078 5.484 ( 1.736 -0.096 0.000) 1.738 5.484 ( 1.736 0.096 0.000) 1.738 5.598 ( 1.204 -0.131 0.000) 1.211 5.598 ( 1.204 0.131 0.000) 1.211 5.708 ( 0.303 -0.206 0.000) 0.366 5.708 ( 0.303 0.206 0.000) 0.366 5.785 ( -1.508 -0.773 0.000) 1.695 5.785 ( -1.508 0.773 0.000) 1.695 5.922 ( 3.877 -1.568 0.000) 4.182 5.922 ( 3.877 1.568 0.000) 4.182 5.961 ( 3.835 -0.321 0.000) 3.849 5.961 ( 3.835 0.321 0.000) 3.849 6.147 ( -0.368 -2.134 0.000) 2.165 6.147 ( -0.368 2.134 0.000) 2.165 6.371 ( -1.933 -0.080 0.000) 1.935 6.371 ( -1.933 0.080 0.000) 1.935 6.393 ( -0.350 -0.318 0.000) 0.473 6.393 ( -0.350 0.318 0.000) 0.473 6.575 ( 3.364 -0.418 0.000) 3.390 6.575 ( 3.364 0.418 0.000) 3.390 6.622 ( 0.703 -0.088 0.000) 0.709 6.622 ( 0.703 0.088 0.000) 0.709 6.675 ( -0.728 -0.541 0.000) 0.907 6.675 ( -0.728 0.541 0.000) 0.907 6.782 ( 2.431 -0.049 0.000) 2.431 6.782 ( 2.431 0.049 0.000) 2.431 6.844 ( 6.404 -0.538 0.000) 6.427 6.844 ( 6.404 0.538 0.000) 6.427 7.027 ( 2.165 -1.265 0.000) 2.507 7.027 ( 2.165 1.265 0.000) 2.507 7.099 ( 3.317 -4.349 0.000) 5.470 7.099 ( 3.317 4.349 0.000) 5.470 7.230 ( -3.210 -1.747 0.000) 3.655 7.230 ( -3.210 1.747 0.000) 3.655 7.258 ( -3.840 -1.150 0.000) 4.008 7.258 ( -3.840 1.150 0.000) 4.008 7.350 ( -1.838 -3.298 0.000) 3.776 7.350 ( -1.838 3.298 0.000) 3.776 7.390 ( 2.269 -1.018 0.000) 2.487 7.390 ( 2.269 1.018 0.000) 2.487 7.460 ( 0.804 -1.312 0.000) 1.539 7.460 ( 0.804 1.312 0.000) 1.539 7.512 ( 2.408 -3.031 0.000) 3.870 7.512 ( 2.408 3.031 0.000) 3.870 7.640 ( -3.697 -0.352 0.000) 3.714 7.640 ( -3.697 0.352 0.000) 3.714 7.699 ( -0.709 -0.022 0.000) 0.710 7.699 ( -0.709 0.022 0.000) 0.710 7.723 ( -2.725 -1.621 0.000) 3.171 7.723 ( -2.725 1.621 0.000) 3.171 7.874 ( 0.151 -0.334 0.000) 0.367 7.874 ( 0.151 0.334 0.000) 0.367 7.943 ( -5.614 -6.635 0.000) 8.691 7.943 ( -5.614 6.635 0.000) 8.691 8.010 ( -4.062 -3.624 0.000) 5.444 8.010 ( -4.062 3.624 0.000) 5.444 8.300 ( -0.572 -4.268 0.000) 4.306 8.300 ( -0.572 4.268 0.000) 4.306 8.376 ( 3.560 -1.207 0.000) 3.759 8.376 ( 3.560 1.207 0.000) 3.759 8.536 ( -0.559 -7.570 0.000) 7.590 8.536 ( -0.559 7.570 0.000) 7.590 8.614 ( -3.374 -4.974 0.000) 6.011 8.614 ( -3.374 4.974 0.000) 6.011 8.705 ( -5.595 -1.705 0.000) 5.849 8.705 ( -5.595 1.705 0.000) 5.849 9.147 ( -6.615 -6.615 0.000) 9.355 9.147 ( -6.615 6.615 0.000) 9.355 13.418 ( 1.226 -1.093 0.000) 1.642 13.418 ( 1.226 1.093 0.000) 1.642 13.484 ( 0.257 -1.011 0.000) 1.043 13.484 ( 0.257 1.011 0.000) 1.043 13.678 ( -1.906 -3.753 0.000) 4.210 13.678 ( -1.906 3.753 0.000) 4.210 13.699 ( -1.843 -4.262 0.000) 4.644 13.699 ( -1.843 4.262 0.000) 4.644 13.824 ( 2.175 -0.095 0.000) 2.177 13.824 ( 2.175 0.095 0.000) 2.177 13.903 ( -1.394 -0.677 0.000) 1.549 13.903 ( -1.394 0.677 0.000) 1.549 14.210 ( -5.082 -1.740 0.000) 5.372 14.210 ( -5.082 1.740 0.000) 5.372 14.275 ( -2.666 -0.257 0.000) 2.678 14.275 ( -2.666 0.257 0.000) 2.678 15.430 ( 0.361 -1.952 0.000) 1.985 15.430 ( 0.361 1.952 0.000) 1.985 15.520 ( -0.959 -3.429 0.000) 3.561 15.520 ( -0.959 3.429 0.000) 3.561 15.668 ( -0.840 -2.405 0.000) 2.548 15.668 ( -0.840 2.405 0.000) 2.548 15.902 ( -7.629 -0.392 0.000) 7.639 15.902 ( -7.629 0.392 0.000) 7.639 16.062 ( -3.010 -3.600 0.000) 4.693 16.062 ( -3.010 3.600 0.000) 4.693 16.109 ( -2.521 -2.971 0.000) 3.896 16.109 ( -2.521 2.971 0.000) 3.896 16.137 ( -4.454 -3.105 0.000) 5.429 16.137 ( -4.454 3.105 0.000) 5.429 16.214 ( -2.104 -0.827 0.000) 2.261 16.214 ( -2.104 0.827 0.000) 2.261 16.439 ( 4.427 -0.002 0.000) 4.427 16.439 ( 4.427 0.002 0.000) 4.427 16.512 ( 6.848 -0.778 0.000) 6.892 16.512 ( 6.848 0.778 0.000) 6.892 16.537 ( 6.172 -2.654 0.000) 6.718 16.537 ( 6.172 2.654 0.000) 6.718 16.656 ( 1.649 -1.350 0.000) 2.131 16.656 ( 1.649 1.350 0.000) 2.131 16.900 ( 3.359 -5.278 0.000) 6.256 16.900 ( 3.359 5.278 0.000) 6.256 16.945 ( 2.275 -2.352 0.000) 3.273 16.945 ( 2.275 2.352 0.000) 3.273 16.955 ( 4.526 -0.470 0.000) 4.551 16.955 ( 4.526 0.470 0.000) 4.551 17.440 ( -1.620 -2.833 0.000) 3.264 17.440 ( -1.620 2.833 0.000) 3.264 ======================= Grid point 18 (11/36) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 11.196 -6.225 0.000) 12.810 0.829 ( 11.196 6.225 0.000) 12.810 1.095 ( 2.068 -10.488 0.000) 10.690 1.095 ( 2.068 10.488 0.000) 10.690 1.189 ( 3.743 -2.475 0.000) 4.487 1.189 ( 3.743 2.475 0.000) 4.488 1.254 ( 3.156 -0.984 0.000) 3.306 1.254 ( 3.156 0.984 0.000) 3.306 1.309 ( -4.762 -6.542 0.000) 8.092 1.309 ( -4.762 6.542 0.000) 8.092 1.377 ( 1.471 -0.310 0.000) 1.503 1.377 ( 1.471 0.310 0.000) 1.503 1.465 ( -1.854 -0.002 0.000) 1.854 1.465 ( -1.854 0.002 0.000) 1.854 1.536 ( 4.084 -5.022 0.000) 6.473 1.536 ( 4.084 5.022 0.000) 6.473 1.620 ( 2.529 -1.058 0.000) 2.742 1.620 ( 2.529 1.058 0.000) 2.742 1.631 ( 5.458 -3.722 0.000) 6.606 1.631 ( 5.458 3.722 0.000) 6.606 1.645 ( 3.194 -2.135 0.000) 3.842 1.645 ( 3.194 2.135 0.000) 3.842 1.718 ( -2.059 -1.723 0.000) 2.685 1.718 ( -2.059 1.723 0.000) 2.685 1.741 ( 4.422 -4.765 0.000) 6.501 1.741 ( 4.422 4.765 0.000) 6.501 1.766 ( 1.621 -1.003 0.000) 1.906 1.766 ( 1.621 1.003 0.000) 1.906 1.803 ( 2.186 -3.991 0.000) 4.551 1.803 ( 2.186 3.991 0.000) 4.551 1.993 ( 1.357 -0.473 0.000) 1.438 1.993 ( 1.357 0.473 0.000) 1.438 2.027 ( -2.628 -0.635 0.000) 2.704 2.027 ( -2.628 0.635 0.000) 2.704 2.086 ( -1.151 -0.229 0.000) 1.174 2.086 ( -1.151 0.229 0.000) 1.174 2.148 ( -0.160 -0.186 0.000) 0.245 2.148 ( -0.160 0.186 0.000) 0.245 2.201 ( -0.143 -0.319 0.000) 0.350 2.201 ( -0.143 0.319 0.000) 0.350 2.261 ( 0.767 -1.442 0.000) 1.634 2.261 ( 0.767 1.442 0.000) 1.634 2.289 ( 2.514 -0.614 0.000) 2.588 2.289 ( 2.514 0.614 0.000) 2.588 2.368 ( 1.152 -0.009 0.000) 1.152 2.368 ( 1.152 0.009 0.000) 1.152 2.395 ( -2.434 -1.422 0.000) 2.819 2.395 ( -2.434 1.422 0.000) 2.819 2.430 ( 3.376 -1.506 0.000) 3.696 2.430 ( 3.376 1.506 0.000) 3.696 2.520 ( 2.498 -1.555 0.000) 2.942 2.520 ( 2.498 1.555 0.000) 2.942 2.593 ( 0.181 -0.083 0.000) 0.199 2.593 ( 0.181 0.083 0.000) 0.199 2.633 ( -0.222 -0.766 0.000) 0.797 2.633 ( -0.222 0.766 0.000) 0.797 2.698 ( -2.097 -0.008 0.000) 2.097 2.698 ( -2.097 0.008 0.000) 2.097 2.723 ( 0.508 -0.031 0.000) 0.509 2.723 ( 0.508 0.031 0.000) 0.509 2.873 ( 4.676 -1.287 0.000) 4.850 2.873 ( 4.676 1.287 0.000) 4.850 2.925 ( -2.079 -0.006 0.000) 2.079 2.925 ( -2.079 0.006 0.000) 2.079 2.953 ( -2.663 -0.010 0.000) 2.663 2.953 ( -2.663 0.010 0.000) 2.663 3.074 ( 2.492 -0.002 0.000) 2.492 3.074 ( 2.492 0.002 0.000) 2.492 3.142 ( -3.116 -0.373 0.000) 3.139 3.142 ( -3.116 0.373 0.000) 3.139 3.207 ( -2.079 -0.177 0.000) 2.087 3.207 ( -2.079 0.177 0.000) 2.087 4.158 ( 0.259 -0.005 0.000) 0.259 4.158 ( 0.259 0.005 0.000) 0.259 4.235 ( 4.112 -1.811 0.000) 4.493 4.235 ( 4.112 1.811 0.000) 4.493 4.364 ( 0.085 -1.252 0.000) 1.254 4.364 ( 0.085 1.252 0.000) 1.254 4.389 ( 0.638 -1.849 0.000) 1.956 4.389 ( 0.638 1.849 0.000) 1.956 4.484 ( 0.212 -0.029 0.000) 0.214 4.484 ( 0.212 0.029 0.000) 0.214 4.563 ( 4.174 -2.951 0.000) 5.112 4.563 ( 4.174 2.951 0.000) 5.112 4.616 ( -0.219 -0.046 0.000) 0.224 4.616 ( -0.219 0.046 0.000) 0.224 4.749 ( 3.917 -3.002 0.000) 4.935 4.749 ( 3.917 3.002 0.000) 4.935 4.827 ( -0.304 -0.422 0.000) 0.520 4.827 ( -0.304 0.422 0.000) 0.520 4.891 ( 2.183 -2.900 0.000) 3.630 4.891 ( 2.183 2.900 0.000) 3.630 5.024 ( 3.082 -1.362 0.000) 3.369 5.024 ( 3.082 1.362 0.000) 3.369 5.134 ( -0.746 -0.244 0.000) 0.785 5.134 ( -0.746 0.244 0.000) 0.785 5.313 ( 0.564 -0.146 0.000) 0.583 5.313 ( 0.564 0.146 0.000) 0.583 5.417 ( 0.036 -0.322 0.000) 0.324 5.417 ( 0.036 0.322 0.000) 0.324 5.554 ( 5.077 -0.008 0.000) 5.077 5.554 ( 5.077 0.008 0.000) 5.077 5.631 ( 1.653 -0.386 0.000) 1.698 5.631 ( 1.653 0.386 0.000) 1.698 5.676 ( -3.448 -1.411 0.000) 3.725 5.676 ( -3.448 1.411 0.000) 3.725 5.754 ( -0.265 -2.846 0.000) 2.859 5.754 ( -0.265 2.846 0.000) 2.859 5.962 ( -2.718 -0.709 0.000) 2.809 5.962 ( -2.718 0.709 0.000) 2.809 5.980 ( -0.558 -0.305 0.000) 0.636 5.980 ( -0.558 0.305 0.000) 0.636 6.175 ( 3.379 -1.763 0.000) 3.811 6.175 ( 3.379 1.763 0.000) 3.811 6.327 ( -1.674 -0.088 0.000) 1.676 6.327 ( -1.674 0.088 0.000) 1.676 6.366 ( -2.636 -2.774 0.000) 3.827 6.366 ( -2.636 2.774 0.000) 3.827 6.578 ( -2.150 -0.036 0.000) 2.150 6.578 ( -2.150 0.036 0.000) 2.150 6.639 ( 0.992 -0.263 0.000) 1.027 6.639 ( 0.992 0.263 0.000) 1.027 6.716 ( 3.742 -0.006 0.000) 3.742 6.716 ( 3.742 0.006 0.000) 3.742 6.821 ( 1.707 -0.030 0.000) 1.707 6.821 ( 1.707 0.030 0.000) 1.707 7.026 ( 8.547 -0.233 0.000) 8.550 7.026 ( 8.547 0.233 0.000) 8.550 7.053 ( 0.734 -0.248 0.000) 0.774 7.053 ( 0.734 0.248 0.000) 0.774 7.161 ( -2.957 -0.737 0.000) 3.048 7.161 ( -2.957 0.737 0.000) 3.048 7.162 ( 1.032 -0.195 0.000) 1.050 7.162 ( 1.032 0.195 0.000) 1.050 7.240 ( 1.526 -0.747 0.000) 1.699 7.240 ( 1.526 0.747 0.000) 1.699 7.346 ( 2.615 -4.933 0.000) 5.584 7.346 ( 2.616 4.933 0.000) 5.584 7.436 ( 0.686 -1.677 0.000) 1.812 7.436 ( 0.686 1.677 0.000) 1.812 7.459 ( 1.043 -0.055 0.000) 1.044 7.459 ( 1.043 0.055 0.000) 1.044 7.521 ( -2.406 -3.280 0.000) 4.068 7.521 ( -2.406 3.280 0.000) 4.068 7.578 ( -0.148 -2.571 0.000) 2.576 7.578 ( -0.148 2.571 0.000) 2.576 7.661 ( -3.097 -0.754 0.000) 3.187 7.661 ( -3.097 0.754 0.000) 3.187 7.701 ( -1.681 -0.182 0.000) 1.691 7.701 ( -1.681 0.182 0.000) 1.691 7.769 ( -6.904 -2.890 0.000) 7.485 7.769 ( -6.904 2.890 0.000) 7.485 7.856 ( -2.871 -1.310 0.000) 3.156 7.856 ( -2.871 1.310 0.000) 3.156 7.938 ( -2.992 -4.634 0.000) 5.516 7.938 ( -2.992 4.634 0.000) 5.516 8.292 ( -0.162 -2.754 0.000) 2.759 8.292 ( -0.162 2.754 0.000) 2.759 8.452 ( 2.861 -1.959 0.000) 3.467 8.452 ( 2.861 1.959 0.000) 3.467 8.517 ( -2.302 -0.032 0.000) 2.302 8.517 ( -2.302 0.032 0.000) 2.302 8.535 ( -2.719 -0.252 0.000) 2.731 8.535 ( -2.719 0.252 0.000) 2.731 8.602 ( -2.930 -0.854 0.000) 3.052 8.602 ( -2.930 0.854 0.000) 3.052 9.010 ( -6.007 -6.088 0.000) 8.553 9.010 ( -6.007 6.088 0.000) 8.553 13.454 ( 2.198 -0.582 0.000) 2.274 13.454 ( 2.198 0.582 0.000) 2.274 13.491 ( 0.332 -0.309 0.000) 0.453 13.491 ( 0.332 0.309 0.000) 0.453 13.631 ( -3.030 -0.319 0.000) 3.047 13.631 ( -3.030 0.319 0.000) 3.047 13.645 ( -2.060 -2.746 0.000) 3.433 13.645 ( -2.060 2.746 0.000) 3.433 13.882 ( 1.485 -0.926 0.000) 1.750 13.882 ( 1.485 0.926 0.000) 1.750 13.920 ( 4.544 -0.026 0.000) 4.544 13.920 ( 4.544 0.026 0.000) 4.544 14.096 ( -5.477 -2.164 0.000) 5.889 14.096 ( -5.477 2.164 0.000) 5.889 14.189 ( -5.359 -0.399 0.000) 5.373 14.189 ( -5.359 0.399 0.000) 5.373 15.442 ( 0.733 -1.709 0.000) 1.860 15.442 ( 0.733 1.709 0.000) 1.860 15.498 ( -1.102 -2.347 0.000) 2.593 15.498 ( -1.102 2.347 0.000) 2.593 15.654 ( -0.205 -0.605 0.000) 0.638 15.654 ( -0.205 0.605 0.000) 0.638 15.775 ( -4.811 -0.205 0.000) 4.815 15.775 ( -4.811 0.205 0.000) 4.815 16.018 ( -1.269 -3.137 0.000) 3.384 16.018 ( -1.269 3.137 0.000) 3.384 16.041 ( -2.718 -0.712 0.000) 2.809 16.041 ( -2.718 0.712 0.000) 2.809 16.082 ( -0.912 -0.001 0.000) 0.912 16.082 ( -0.912 0.001 0.000) 0.912 16.173 ( -2.350 -2.631 0.000) 3.527 16.173 ( -2.350 2.631 0.000) 3.527 16.516 ( 2.703 -0.013 0.000) 2.703 16.516 ( 2.703 0.013 0.000) 2.703 16.613 ( 2.465 -1.039 0.000) 2.675 16.613 ( 2.465 1.039 0.000) 2.675 16.629 ( 3.388 -0.945 0.000) 3.518 16.629 ( 3.388 0.945 0.000) 3.518 16.683 ( 0.896 -0.106 0.000) 0.902 16.683 ( 0.896 0.106 0.000) 0.902 16.971 ( 3.064 -4.951 0.000) 5.822 16.971 ( 3.064 4.951 0.000) 5.822 16.989 ( 2.211 -5.213 0.000) 5.662 16.989 ( 2.211 5.213 0.000) 5.662 17.094 ( 7.797 -3.517 0.000) 8.553 17.094 ( 7.797 3.517 0.000) 8.553 17.378 ( -4.479 -0.028 0.000) 4.479 17.378 ( -4.479 0.028 0.000) 4.479 ======================= Grid point 20 (12/36) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.000 -0.000 0.000) 0.000 1.045 ( 0.000 -0.000 0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.064 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 -0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.231 ( -0.000 -0.000 0.000) 0.000 1.231 ( 0.000 -0.000 0.000) 0.000 1.321 ( -0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 -0.000 0.000) 0.000 1.588 ( 0.000 -0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 -0.000 0.000) 0.000 1.726 ( 0.000 -0.000 0.000) 0.000 1.774 ( 0.000 -0.000 0.000) 0.000 1.774 ( 0.000 -0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.913 ( -0.000 -0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.925 ( -0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.508 ( -0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.559 ( -0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.643 ( -0.000 -0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 -0.000 0.000) 0.000 3.048 ( -0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 -0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.313 ( -0.000 -0.000 0.000) 0.000 4.313 ( -0.000 0.000 0.000) 0.000 4.316 ( 0.000 -0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 -0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.622 ( -0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 -0.000 0.000) 0.000 4.799 ( 0.000 -0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 5.090 ( -0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.383 ( -0.000 -0.000 0.000) 0.000 5.383 ( -0.000 0.000 0.000) 0.000 5.604 ( -0.000 -0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.729 ( -0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 -0.000 0.000) 0.000 5.896 ( 0.000 -0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 -0.000 0.000) 0.000 6.229 ( 0.000 -0.000 0.000) 0.000 6.316 ( -0.000 -0.000 0.000) 0.000 6.316 ( 0.000 -0.000 0.000) 0.000 6.316 ( -0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 -0.000 0.000) 0.000 7.117 ( 0.000 -0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 -0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.381 ( -0.000 0.000 0.000) 0.000 7.381 ( -0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 -0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 -0.000 0.000) 0.000 7.521 ( 0.000 -0.000 0.000) 0.000 7.571 ( -0.000 -0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 -0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.790 ( -0.000 -0.000 0.000) 0.000 7.790 ( -0.000 0.000 0.000) 0.000 7.900 ( 0.000 -0.000 0.000) 0.000 7.900 ( 0.000 -0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.463 ( -0.000 -0.000 0.000) 0.000 8.463 ( 0.000 -0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 -0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 13.487 ( -0.000 0.000 0.000) 0.000 13.487 ( 0.000 0.000 0.000) 0.000 13.494 ( -0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 14.004 ( -0.000 0.000 0.000) 0.000 14.004 ( -0.000 0.000 0.000) 0.000 14.029 ( 0.000 -0.000 0.000) 0.000 14.029 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 15.718 ( 0.000 0.000 0.000) 0.000 16.003 ( -0.000 -0.000 0.000) 0.000 16.003 ( 0.000 -0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.080 ( 0.000 0.000 0.000) 0.000 16.080 ( 0.000 0.000 0.000) 0.000 16.140 ( 0.000 0.000 0.000) 0.000 16.140 ( 0.000 0.000 0.000) 0.000 16.544 ( 0.000 0.000 0.000) 0.000 16.544 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 -0.000 0.000) 0.000 16.664 ( 0.000 -0.000 0.000) 0.000 16.664 ( 0.000 0.000 0.000) 0.000 16.691 ( 0.000 -0.000 0.000) 0.000 16.691 ( 0.000 0.000 0.000) 0.000 17.005 ( 0.000 -0.000 0.000) 0.000 17.005 ( 0.000 0.000 0.000) 0.000 17.016 ( 0.000 0.000 0.000) 0.000 17.016 ( 0.000 0.000 0.000) 0.000 17.224 ( -0.000 0.000 0.000) 0.000 17.224 ( 0.000 -0.000 0.000) 0.000 17.284 ( -0.000 0.000 0.000) 0.000 17.284 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 0.000 0.000 13.209) 13.209 0.285 ( 0.000 0.000 15.480) 15.480 0.457 ( 0.000 0.000 25.232) 25.232 0.825 ( 0.000 0.000 -5.990) 5.990 0.870 ( 0.000 0.000 -0.628) 0.628 0.967 ( 0.000 0.000 4.823) 4.823 1.008 ( 0.000 0.000 -3.621) 3.621 1.031 ( 0.000 0.000 -8.129) 8.129 1.167 ( 0.000 0.000 0.883) 0.883 1.220 ( 0.000 0.000 3.923) 3.923 1.241 ( 0.000 0.000 -0.486) 0.486 1.286 ( 0.000 0.000 -2.816) 2.816 1.373 ( 0.000 0.000 -1.572) 1.572 1.379 ( 0.000 0.000 0.409) 0.409 1.420 ( 0.000 0.000 -1.652) 1.652 1.429 ( 0.000 0.000 0.644) 0.644 1.453 ( 0.000 0.000 -0.871) 0.871 1.460 ( 0.000 0.000 -4.769) 4.769 1.538 ( 0.000 0.000 5.511) 5.511 1.578 ( 0.000 0.000 -2.966) 2.966 1.612 ( 0.000 0.000 0.786) 0.786 1.685 ( 0.000 0.000 3.047) 3.047 1.687 ( 0.000 0.000 1.861) 1.861 1.701 ( 0.000 0.000 -1.097) 1.097 1.724 ( 0.000 0.000 -1.962) 1.962 1.818 ( 0.000 0.000 -3.373) 3.373 1.819 ( 0.000 0.000 3.084) 3.084 1.871 ( 0.000 0.000 1.692) 1.692 1.876 ( 0.000 0.000 2.554) 2.554 1.890 ( 0.000 0.000 4.669) 4.669 1.905 ( 0.000 0.000 -8.280) 8.280 1.944 ( 0.000 0.000 -2.720) 2.720 1.968 ( 0.000 0.000 -1.043) 1.043 2.030 ( 0.000 0.000 0.392) 0.392 2.033 ( 0.000 0.000 -2.719) 2.719 2.050 ( 0.000 0.000 2.348) 2.348 2.070 ( 0.000 0.000 1.624) 1.624 2.141 ( 0.000 0.000 3.778) 3.778 2.158 ( 0.000 0.000 2.047) 2.047 2.186 ( 0.000 0.000 -1.209) 1.209 2.204 ( 0.000 0.000 3.662) 3.662 2.255 ( 0.000 0.000 -10.005) 10.005 2.264 ( 0.000 0.000 2.254) 2.254 2.287 ( 0.000 0.000 1.532) 1.532 2.347 ( 0.000 0.000 0.124) 0.124 2.350 ( 0.000 0.000 -5.475) 5.475 2.439 ( 0.000 0.000 0.232) 0.232 2.453 ( 0.000 0.000 1.272) 1.272 2.455 ( 0.000 0.000 -1.589) 1.589 2.491 ( 0.000 0.000 0.187) 0.187 2.500 ( 0.000 0.000 -0.586) 0.586 2.514 ( 0.000 0.000 0.501) 0.501 2.550 ( 0.000 0.000 -5.371) 5.371 2.631 ( 0.000 0.000 2.124) 2.124 2.655 ( 0.000 0.000 -3.792) 3.792 2.671 ( 0.000 0.000 3.054) 3.054 2.732 ( 0.000 0.000 1.494) 1.494 2.733 ( 0.000 0.000 -3.347) 3.347 2.771 ( 0.000 0.000 1.239) 1.239 2.809 ( 0.000 0.000 -0.463) 0.463 2.810 ( 0.000 0.000 1.362) 1.362 2.844 ( 0.000 0.000 3.014) 3.014 2.867 ( 0.000 0.000 -3.925) 3.925 2.955 ( 0.000 0.000 -0.684) 0.684 3.048 ( 0.000 0.000 -1.498) 1.498 3.089 ( 0.000 0.000 1.676) 1.676 3.102 ( 0.000 0.000 -6.180) 6.180 3.134 ( 0.000 0.000 3.178) 3.178 3.162 ( 0.000 0.000 6.877) 6.877 3.196 ( 0.000 0.000 -0.767) 0.767 3.231 ( 0.000 0.000 -4.383) 4.383 3.384 ( 0.000 0.000 0.875) 0.875 3.994 ( 0.000 0.000 0.466) 0.466 4.111 ( 0.000 0.000 -2.953) 2.953 4.149 ( 0.000 0.000 -0.428) 0.428 4.150 ( 0.000 0.000 -1.275) 1.275 4.263 ( 0.000 0.000 2.631) 2.631 4.286 ( 0.000 0.000 0.417) 0.417 4.335 ( 0.000 0.000 1.550) 1.550 4.409 ( 0.000 0.000 -1.040) 1.040 4.453 ( 0.000 0.000 -1.611) 1.611 4.526 ( 0.000 0.000 2.161) 2.161 4.536 ( 0.000 0.000 -6.934) 6.934 4.588 ( 0.000 0.000 3.806) 3.806 4.656 ( 0.000 0.000 -0.720) 0.720 4.661 ( 0.000 0.000 4.378) 4.378 4.675 ( 0.000 0.000 -0.811) 0.811 4.692 ( 0.000 0.000 0.261) 0.261 4.751 ( 0.000 0.000 0.561) 0.561 4.789 ( 0.000 0.000 -0.185) 0.185 4.790 ( 0.000 0.000 -3.158) 3.158 4.832 ( 0.000 0.000 4.056) 4.056 4.835 ( 0.000 0.000 1.815) 1.815 4.924 ( 0.000 0.000 0.153) 0.153 5.051 ( 0.000 0.000 -3.758) 3.758 5.191 ( 0.000 0.000 -5.704) 5.704 5.273 ( 0.000 0.000 0.696) 0.696 5.340 ( 0.000 0.000 0.074) 0.074 5.427 ( 0.000 0.000 -1.387) 1.387 5.489 ( 0.000 0.000 -2.364) 2.364 5.496 ( 0.000 0.000 5.649) 5.649 5.572 ( 0.000 0.000 1.772) 1.772 5.594 ( 0.000 0.000 -0.840) 0.840 5.659 ( 0.000 0.000 2.063) 2.063 5.715 ( 0.000 0.000 0.364) 0.364 5.742 ( 0.000 0.000 1.572) 1.572 5.764 ( 0.000 0.000 0.567) 0.567 5.775 ( 0.000 0.000 0.015) 0.015 5.818 ( 0.000 0.000 0.061) 0.061 5.850 ( 0.000 0.000 2.337) 2.337 5.856 ( 0.000 0.000 -1.536) 1.536 6.009 ( 0.000 0.000 -1.706) 1.706 6.029 ( 0.000 0.000 2.122) 2.122 6.221 ( 0.000 0.000 2.553) 2.553 6.306 ( 0.000 0.000 1.403) 1.403 6.411 ( 0.000 0.000 -1.690) 1.690 6.431 ( 0.000 0.000 -8.790) 8.790 6.458 ( 0.000 0.000 3.477) 3.477 6.515 ( 0.000 0.000 -2.447) 2.447 6.564 ( 0.000 0.000 -0.579) 0.579 6.566 ( 0.000 0.000 -1.692) 1.692 6.591 ( 0.000 0.000 2.081) 2.081 6.628 ( 0.000 0.000 1.393) 1.393 6.648 ( 0.000 0.000 -2.242) 2.242 6.663 ( 0.000 0.000 -3.204) 3.204 6.704 ( 0.000 0.000 0.836) 0.836 6.845 ( 0.000 0.000 -6.147) 6.147 6.971 ( 0.000 0.000 6.041) 6.041 6.973 ( 0.000 0.000 -4.818) 4.818 7.049 ( 0.000 0.000 2.770) 2.770 7.087 ( 0.000 0.000 1.873) 1.873 7.184 ( 0.000 0.000 -4.266) 4.266 7.224 ( 0.000 0.000 -0.442) 0.442 7.228 ( 0.000 0.000 -2.297) 2.297 7.232 ( 0.000 0.000 -5.447) 5.447 7.317 ( 0.000 0.000 1.556) 1.556 7.361 ( 0.000 0.000 -5.312) 5.312 7.367 ( 0.000 0.000 -1.413) 1.413 7.422 ( 0.000 0.000 3.189) 3.189 7.423 ( 0.000 0.000 4.014) 4.014 7.433 ( 0.000 0.000 3.072) 3.072 7.468 ( 0.000 0.000 3.490) 3.490 7.475 ( 0.000 0.000 4.862) 4.862 7.521 ( 0.000 0.000 3.554) 3.554 7.651 ( 0.000 0.000 -2.303) 2.303 7.652 ( 0.000 0.000 4.285) 4.285 7.707 ( 0.000 0.000 2.336) 2.336 7.730 ( 0.000 0.000 -4.565) 4.565 7.793 ( 0.000 0.000 0.307) 0.307 7.856 ( 0.000 0.000 -3.416) 3.416 7.869 ( 0.000 0.000 4.347) 4.347 7.941 ( 0.000 0.000 6.994) 6.994 8.022 ( 0.000 0.000 -1.626) 1.626 8.032 ( 0.000 0.000 0.872) 0.872 8.157 ( 0.000 0.000 -1.250) 1.250 8.164 ( 0.000 0.000 -1.030) 1.030 8.177 ( 0.000 0.000 -1.171) 1.171 8.214 ( 0.000 0.000 6.318) 6.318 8.257 ( 0.000 0.000 4.150) 4.150 8.399 ( 0.000 0.000 0.220) 0.220 8.432 ( 0.000 0.000 -0.598) 0.598 8.541 ( 0.000 0.000 -3.839) 3.839 8.619 ( 0.000 0.000 -6.579) 6.579 8.695 ( 0.000 0.000 2.620) 2.620 8.745 ( 0.000 0.000 -4.222) 4.222 8.796 ( 0.000 0.000 -0.614) 0.614 8.871 ( 0.000 0.000 7.214) 7.214 9.272 ( 0.000 0.000 -4.596) 4.596 13.367 ( 0.000 0.000 -0.374) 0.374 13.478 ( 0.000 0.000 1.637) 1.637 13.485 ( 0.000 0.000 -1.390) 1.390 13.540 ( 0.000 0.000 4.559) 4.559 13.570 ( 0.000 0.000 3.050) 3.050 13.578 ( 0.000 0.000 -2.214) 2.214 13.718 ( 0.000 0.000 -3.499) 3.499 13.794 ( 0.000 0.000 3.239) 3.239 13.904 ( 0.000 0.000 -2.791) 2.791 13.915 ( 0.000 0.000 2.614) 2.614 13.929 ( 0.000 0.000 1.651) 1.651 14.004 ( 0.000 0.000 -1.531) 1.531 14.029 ( 0.000 0.000 2.847) 2.847 14.131 ( 0.000 0.000 0.672) 0.672 14.424 ( 0.000 0.000 -4.026) 4.026 14.442 ( 0.000 0.000 -3.576) 3.576 15.503 ( 0.000 0.000 4.604) 4.604 15.516 ( 0.000 0.000 -0.089) 0.089 15.553 ( 0.000 0.000 -0.310) 0.310 15.708 ( 0.000 0.000 -1.768) 1.768 15.711 ( 0.000 0.000 -3.433) 3.433 15.728 ( 0.000 0.000 -3.297) 3.297 15.822 ( 0.000 0.000 4.004) 4.004 15.971 ( 0.000 0.000 -0.842) 0.842 15.973 ( 0.000 0.000 -0.612) 0.612 15.975 ( 0.000 0.000 -0.825) 0.825 16.146 ( 0.000 0.000 0.617) 0.617 16.154 ( 0.000 0.000 1.107) 1.107 16.210 ( 0.000 0.000 0.907) 0.907 16.238 ( 0.000 0.000 -2.364) 2.364 16.244 ( 0.000 0.000 -1.687) 1.687 16.295 ( 0.000 0.000 -1.867) 1.867 16.358 ( 0.000 0.000 1.900) 1.900 16.407 ( 0.000 0.000 1.414) 1.414 16.417 ( 0.000 0.000 0.628) 0.628 16.427 ( 0.000 0.000 -0.470) 0.470 16.460 ( 0.000 0.000 3.230) 3.230 16.579 ( 0.000 0.000 1.239) 1.239 16.653 ( 0.000 0.000 -2.231) 2.231 16.709 ( 0.000 0.000 -1.354) 1.354 16.802 ( 0.000 0.000 0.107) 0.107 16.808 ( 0.000 0.000 -0.039) 0.039 16.879 ( 0.000 0.000 0.102) 0.102 16.914 ( 0.000 0.000 -1.169) 1.169 16.996 ( 0.000 0.000 1.266) 1.266 17.007 ( 0.000 0.000 0.843) 0.843 17.216 ( 0.000 0.000 -0.123) 0.123 17.236 ( 0.000 0.000 -0.563) 0.563 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 9.588 0.000 8.084) 12.541 0.482 ( 11.538 0.000 13.711) 17.920 0.787 ( 14.079 0.000 3.346) 14.471 0.843 ( 15.717 0.000 3.861) 16.184 0.923 ( 4.069 0.000 -0.707) 4.130 1.029 ( 6.561 0.000 1.822) 6.809 1.055 ( 4.082 0.000 -2.097) 4.589 1.201 ( -0.169 0.000 4.445) 4.448 1.209 ( 11.488 0.000 -6.046) 12.981 1.237 ( 2.026 0.000 0.189) 2.035 1.285 ( 6.113 0.000 0.740) 6.157 1.347 ( -2.352 0.000 -0.351) 2.378 1.395 ( 4.999 0.000 -0.587) 5.033 1.400 ( 1.798 0.000 -2.757) 3.292 1.414 ( 0.423 0.000 1.426) 1.488 1.446 ( 2.945 0.000 -2.733) 4.017 1.462 ( 2.464 0.000 -1.681) 2.983 1.470 ( 0.537 0.000 -2.239) 2.302 1.588 ( -2.830 0.000 1.232) 3.087 1.611 ( -0.006 0.000 2.192) 2.192 1.620 ( 6.239 0.000 3.682) 7.244 1.639 ( 0.978 0.000 -0.817) 1.274 1.686 ( -0.123 0.000 1.584) 1.588 1.712 ( 0.856 0.000 1.674) 1.880 1.753 ( 0.761 0.000 -0.776) 1.087 1.809 ( -2.401 0.000 -0.183) 2.408 1.820 ( -3.375 0.000 -1.614) 3.741 1.889 ( 2.756 0.000 2.587) 3.780 1.894 ( 1.031 0.000 -5.550) 5.645 1.906 ( 3.067 0.000 1.261) 3.316 1.930 ( 1.945 0.000 2.720) 3.344 1.968 ( -0.514 0.000 -1.412) 1.503 1.978 ( 2.184 0.000 1.416) 2.603 2.030 ( 0.065 0.000 0.546) 0.550 2.045 ( 4.671 0.000 -0.477) 4.696 2.077 ( 0.502 0.000 -2.913) 2.956 2.095 ( 4.626 0.000 -1.377) 4.826 2.134 ( -1.219 0.000 -0.224) 1.239 2.164 ( 1.598 0.000 3.004) 3.403 2.204 ( 1.908 0.000 -1.031) 2.169 2.210 ( 0.258 0.000 3.590) 3.599 2.233 ( -1.952 0.000 2.713) 3.343 2.246 ( -0.286 0.000 -1.144) 1.179 2.294 ( 0.509 0.000 -3.785) 3.819 2.341 ( -0.299 0.000 -2.007) 2.030 2.389 ( 0.024 0.000 -2.344) 2.345 2.412 ( 0.901 0.000 -5.869) 5.938 2.414 ( -1.913 0.000 0.192) 1.922 2.449 ( -2.041 0.000 0.290) 2.062 2.471 ( 0.023 0.000 2.025) 2.025 2.471 ( -1.994 0.000 1.863) 2.729 2.538 ( 0.514 0.000 -0.525) 0.735 2.561 ( 0.505 0.000 -4.754) 4.781 2.614 ( -1.846 0.000 1.771) 2.558 2.627 ( -3.083 0.000 0.774) 3.179 2.682 ( 2.175 0.000 1.105) 2.440 2.710 ( -1.924 0.000 1.913) 2.713 2.721 ( -1.743 0.000 -4.518) 4.843 2.755 ( -0.571 0.000 -0.990) 1.143 2.757 ( 0.615 0.000 -0.365) 0.715 2.822 ( 2.066 0.000 -0.171) 2.073 2.823 ( -1.211 0.000 2.655) 2.918 2.939 ( -2.132 0.000 -5.621) 6.011 2.942 ( 3.396 0.000 -1.030) 3.549 3.008 ( -1.749 0.000 2.542) 3.086 3.083 ( -1.427 0.000 -2.898) 3.230 3.085 ( -0.035 0.000 3.840) 3.840 3.116 ( -3.920 0.000 -0.731) 3.987 3.129 ( -2.063 0.000 6.982) 7.280 3.186 ( 2.174 0.000 -2.290) 3.158 3.197 ( -0.100 0.000 0.537) 0.546 3.357 ( -3.186 0.000 1.468) 3.508 4.059 ( 5.550 0.000 0.117) 5.551 4.127 ( 2.234 0.000 -2.386) 3.269 4.172 ( 1.488 0.000 -0.690) 1.640 4.195 ( 2.667 0.000 0.566) 2.726 4.251 ( -0.973 0.000 2.941) 3.098 4.333 ( 3.982 0.000 -0.939) 4.092 4.382 ( 3.698 0.000 -0.088) 3.699 4.395 ( -1.825 0.000 -0.381) 1.864 4.465 ( -1.119 0.000 -1.952) 2.250 4.470 ( 1.367 0.000 -1.946) 2.378 4.574 ( -1.944 0.000 5.781) 6.099 4.615 ( -0.737 0.000 1.753) 1.901 4.632 ( 3.718 0.000 -2.313) 4.379 4.659 ( -0.299 0.000 -0.543) 0.620 4.672 ( -0.022 0.000 -0.494) 0.495 4.697 ( 0.845 0.000 -0.349) 0.914 4.784 ( 2.875 0.000 1.341) 3.172 4.801 ( 1.365 0.000 -1.898) 2.337 4.827 ( 2.968 0.000 -2.468) 3.860 4.866 ( 1.558 0.000 4.114) 4.400 4.868 ( 2.661 0.000 1.627) 3.119 4.981 ( 5.323 0.000 -0.854) 5.391 5.026 ( -1.537 0.000 -5.072) 5.300 5.154 ( -1.674 0.000 -5.571) 5.817 5.297 ( 2.602 0.000 3.401) 4.282 5.374 ( 3.098 0.000 -0.218) 3.106 5.393 ( -2.696 0.000 0.223) 2.705 5.483 ( -0.882 0.000 3.890) 3.989 5.514 ( 1.705 0.000 0.131) 1.710 5.578 ( 0.319 0.000 2.787) 2.805 5.627 ( -3.717 0.000 4.853) 6.113 5.635 ( 3.204 0.000 -2.815) 4.265 5.663 ( -0.417 0.000 2.383) 2.419 5.714 ( -3.058 0.000 0.544) 3.106 5.742 ( 1.680 0.000 -0.676) 1.811 5.775 ( 1.591 0.000 1.253) 2.025 5.788 ( 1.538 0.000 0.574) 1.642 5.856 ( 0.291 0.000 -0.833) 0.883 6.034 ( 2.373 0.000 0.467) 2.419 6.050 ( 0.689 0.000 -2.437) 2.533 6.053 ( 2.011 0.000 0.542) 2.083 6.196 ( -1.030 0.000 1.711) 1.997 6.379 ( -2.625 0.000 -0.295) 2.641 6.387 ( -1.612 0.000 -4.917) 5.174 6.444 ( 1.534 0.000 -4.338) 4.602 6.460 ( -4.149 0.000 -4.524) 6.138 6.485 ( 2.331 0.000 0.608) 2.409 6.546 ( -0.074 0.000 0.627) 0.632 6.630 ( 2.469 0.000 -0.414) 2.504 6.635 ( 2.537 0.000 -0.239) 2.549 6.654 ( 0.734 0.000 -2.853) 2.946 6.658 ( 1.868 0.000 0.443) 1.920 6.726 ( 8.452 0.000 -2.949) 8.951 6.741 ( 2.451 0.000 -0.506) 2.503 6.860 ( 0.790 0.000 -6.294) 6.344 6.951 ( -0.336 0.000 -2.516) 2.539 7.000 ( 1.669 0.000 1.825) 2.473 7.048 ( 0.782 0.000 2.729) 2.839 7.077 ( -3.716 0.000 4.839) 6.102 7.171 ( 0.775 0.000 2.505) 2.622 7.173 ( -1.728 0.000 -1.013) 2.003 7.181 ( -2.148 0.000 -2.597) 3.370 7.250 ( -0.273 0.000 -0.679) 0.732 7.274 ( 0.728 0.000 -3.857) 3.925 7.307 ( -3.407 0.000 -2.055) 3.979 7.382 ( -1.470 0.000 1.612) 2.182 7.422 ( 0.199 0.000 6.493) 6.496 7.424 ( -0.795 0.000 4.390) 4.462 7.451 ( 3.645 0.000 -2.536) 4.440 7.456 ( 1.640 0.000 0.736) 1.798 7.527 ( -0.769 0.000 0.991) 1.254 7.582 ( -1.808 0.000 -2.992) 3.496 7.641 ( 0.883 0.000 0.826) 1.209 7.691 ( 3.296 0.000 -2.244) 3.987 7.698 ( -1.372 0.000 -0.123) 1.378 7.727 ( 0.974 0.000 0.688) 1.192 7.829 ( 3.186 0.000 0.472) 3.221 7.835 ( -1.858 0.000 1.311) 2.274 7.855 ( -1.813 0.000 -0.779) 1.973 7.899 ( -4.401 0.000 5.461) 7.014 7.979 ( -4.658 0.000 0.137) 4.660 8.024 ( -0.885 0.000 1.037) 1.363 8.108 ( -2.653 0.000 -0.246) 2.664 8.129 ( -6.349 0.000 5.165) 8.184 8.179 ( 0.403 0.000 -0.812) 0.906 8.184 ( 0.351 0.000 0.472) 0.588 8.226 ( -1.812 0.000 2.332) 2.953 8.370 ( -3.353 0.000 6.940) 7.707 8.477 ( 3.765 0.000 0.670) 3.824 8.493 ( -4.373 0.000 -1.987) 4.803 8.590 ( -2.757 0.000 -6.523) 7.082 8.664 ( 1.980 0.000 -1.640) 2.571 8.697 ( -3.815 0.000 -3.780) 5.370 8.726 ( -6.347 0.000 -0.772) 6.394 8.846 ( -2.610 0.000 6.672) 7.164 9.221 ( -4.818 0.000 -4.264) 6.434 13.383 ( 1.604 0.000 -0.379) 1.648 13.457 ( -0.537 0.000 0.881) 1.032 13.498 ( 1.145 0.000 -1.338) 1.761 13.533 ( -0.438 0.000 3.657) 3.683 13.561 ( -0.768 0.000 3.418) 3.503 13.578 ( -0.239 0.000 -1.973) 1.987 13.698 ( -1.926 0.000 -2.987) 3.554 13.756 ( -3.330 0.000 2.371) 4.088 13.900 ( -1.697 0.000 2.179) 2.761 13.930 ( 2.734 0.000 -1.569) 3.152 13.948 ( 1.772 0.000 0.620) 1.877 13.987 ( -1.577 0.000 -1.838) 2.422 14.001 ( -2.052 0.000 3.032) 3.661 14.095 ( -3.266 0.000 0.656) 3.331 14.385 ( -3.651 0.000 -3.649) 5.162 14.395 ( -4.337 0.000 -3.189) 5.383 15.491 ( -1.192 0.000 3.630) 3.821 15.516 ( -4.160 0.000 4.628) 6.223 15.521 ( 0.507 0.000 -0.535) 0.737 15.632 ( -4.739 0.000 1.202) 4.889 15.679 ( -3.267 0.000 -1.516) 3.602 15.708 ( -0.658 0.000 -2.586) 2.669 15.732 ( -7.218 0.000 7.661) 10.526 15.808 ( -1.406 0.000 3.013) 3.325 15.939 ( -1.702 0.000 -0.208) 1.714 15.974 ( -0.086 0.000 -0.664) 0.669 15.995 ( -1.140 0.000 -0.588) 1.283 16.103 ( -5.995 0.000 -1.495) 6.178 16.152 ( -3.432 0.000 -1.444) 3.724 16.158 ( -4.674 0.000 -1.893) 5.043 16.262 ( -3.284 0.000 2.731) 4.271 16.289 ( -4.597 0.000 2.250) 5.118 16.423 ( 2.882 0.000 -1.612) 3.302 16.445 ( 5.543 0.000 -2.093) 5.925 16.451 ( 4.185 0.000 0.806) 4.262 16.493 ( 3.810 0.000 -0.066) 3.810 16.544 ( 8.033 0.000 3.568) 8.790 16.643 ( 4.379 0.000 1.766) 4.722 16.725 ( 6.682 0.000 -2.230) 7.045 16.760 ( 1.126 0.000 -0.280) 1.161 16.809 ( 0.030 0.000 -0.004) 0.030 16.809 ( 0.773 0.000 -0.030) 0.774 16.881 ( 0.490 0.000 0.415) 0.643 17.009 ( 3.768 0.000 1.089) 3.922 17.066 ( 5.009 0.000 0.498) 5.034 17.177 ( 4.423 0.000 -8.640) 9.706 17.258 ( 1.784 0.000 -0.430) 1.835 17.272 ( 4.918 0.000 -5.207) 7.162 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 11.347 0.000 3.104) 11.764 0.727 ( 11.721 0.000 8.915) 14.726 0.915 ( 6.929 0.000 -5.565) 8.887 0.964 ( -2.850 0.000 -3.054) 4.177 1.074 ( -2.301 0.000 4.167) 4.760 1.140 ( 4.722 0.000 4.836) 6.759 1.219 ( 2.185 0.000 -1.760) 2.805 1.265 ( 1.403 0.000 -0.660) 1.551 1.322 ( 12.614 0.000 2.165) 12.799 1.328 ( 1.655 0.000 1.217) 2.054 1.342 ( 1.437 0.000 1.758) 2.271 1.392 ( -2.226 0.000 1.166) 2.513 1.392 ( 2.805 0.000 -1.425) 3.147 1.427 ( 1.836 0.000 -2.239) 2.896 1.447 ( 1.332 0.000 0.209) 1.348 1.511 ( 4.583 0.000 -3.088) 5.526 1.540 ( 3.816 0.000 -0.142) 3.818 1.546 ( 1.175 0.000 -1.787) 2.139 1.556 ( 3.758 0.000 1.144) 3.928 1.593 ( -1.398 0.000 2.400) 2.777 1.608 ( -3.440 0.000 2.180) 4.073 1.623 ( -4.561 0.000 0.765) 4.625 1.712 ( 2.170 0.000 2.279) 3.147 1.729 ( -0.389 0.000 1.133) 1.198 1.772 ( 2.583 0.000 2.047) 3.296 1.821 ( 4.918 0.000 -1.041) 5.027 1.824 ( 1.450 0.000 -2.520) 2.907 1.899 ( -0.549 0.000 1.760) 1.843 1.910 ( 1.133 0.000 -3.192) 3.387 1.940 ( -0.338 0.000 2.396) 2.419 1.981 ( 1.681 0.000 -2.682) 3.165 2.000 ( 2.984 0.000 -3.706) 4.757 2.015 ( 1.358 0.000 0.778) 1.565 2.064 ( 2.089 0.000 -1.931) 2.845 2.100 ( 0.566 0.000 -1.398) 1.508 2.106 ( -0.141 0.000 -2.262) 2.266 2.130 ( -2.385 0.000 2.025) 3.128 2.154 ( 5.282 0.000 1.279) 5.435 2.161 ( 0.124 0.000 2.542) 2.545 2.213 ( -0.248 0.000 -0.224) 0.334 2.213 ( -1.292 0.000 0.660) 1.451 2.292 ( 3.702 0.000 -0.090) 3.703 2.313 ( 4.933 0.000 1.379) 5.123 2.318 ( 1.743 0.000 -1.503) 2.302 2.341 ( 0.805 0.000 0.080) 0.809 2.363 ( 1.248 0.000 -3.145) 3.383 2.373 ( -2.189 0.000 -0.950) 2.386 2.427 ( -0.589 0.000 3.239) 3.292 2.432 ( -0.832 0.000 3.148) 3.256 2.460 ( 1.867 0.000 -0.778) 2.022 2.508 ( 4.301 0.000 -3.072) 5.286 2.567 ( -0.075 0.000 -1.363) 1.365 2.574 ( 4.209 0.000 -1.823) 4.587 2.599 ( -1.230 0.000 -2.679) 2.948 2.607 ( 1.975 0.000 -0.170) 1.982 2.628 ( -3.535 0.000 -1.726) 3.934 2.691 ( 0.216 0.000 1.197) 1.217 2.694 ( -2.051 0.000 -5.246) 5.633 2.741 ( -3.760 0.000 1.858) 4.194 2.759 ( -0.839 0.000 1.306) 1.552 2.843 ( 3.600 0.000 1.463) 3.886 2.866 ( -4.124 0.000 -4.379) 6.015 2.902 ( 1.338 0.000 -4.969) 5.146 2.942 ( 0.004 0.000 1.044) 1.044 2.996 ( -1.863 0.000 2.557) 3.164 3.021 ( -1.834 0.000 1.129) 2.153 3.031 ( -2.788 0.000 -4.540) 5.328 3.126 ( 2.407 0.000 0.754) 2.523 3.140 ( 2.315 0.000 4.655) 5.199 3.186 ( -0.890 0.000 1.926) 2.122 3.215 ( -0.099 0.000 -2.840) 2.842 3.269 ( -5.028 0.000 2.459) 5.597 4.146 ( 1.418 0.000 -0.642) 1.557 4.198 ( 4.178 0.000 -1.654) 4.493 4.219 ( -0.814 0.000 0.685) 1.064 4.224 ( 2.932 0.000 3.172) 4.319 4.256 ( 2.867 0.000 0.595) 2.928 4.356 ( -1.855 0.000 2.657) 3.240 4.421 ( 3.634 0.000 -0.346) 3.650 4.454 ( 2.844 0.000 -2.898) 4.060 4.463 ( 1.451 0.000 -0.233) 1.469 4.500 ( 1.899 0.000 -1.587) 2.474 4.545 ( 0.152 0.000 3.293) 3.296 4.633 ( -2.297 0.000 -1.153) 2.570 4.638 ( 1.051 0.000 0.155) 1.062 4.669 ( 0.324 0.000 -2.249) 2.273 4.687 ( 1.971 0.000 0.421) 2.016 4.735 ( 2.768 0.000 0.747) 2.867 4.823 ( -0.848 0.000 -0.136) 0.859 4.839 ( -0.346 0.000 4.813) 4.825 4.896 ( 4.507 0.000 -3.731) 5.851 4.899 ( 4.167 0.000 -0.447) 4.191 4.935 ( 3.937 0.000 -1.728) 4.299 5.026 ( 0.712 0.000 -6.111) 6.152 5.078 ( 1.984 0.000 -1.679) 2.599 5.118 ( -2.297 0.000 -3.824) 4.461 5.350 ( 1.730 0.000 2.747) 3.246 5.375 ( 2.968 0.000 5.626) 6.361 5.449 ( 3.876 0.000 -0.639) 3.928 5.469 ( 0.533 0.000 4.186) 4.220 5.535 ( -3.572 0.000 6.222) 7.174 5.568 ( 4.213 0.000 0.834) 4.295 5.602 ( -2.502 0.000 2.025) 3.218 5.656 ( -1.889 0.000 -0.360) 1.923 5.658 ( 2.498 0.000 -0.616) 2.572 5.700 ( 1.206 0.000 -1.313) 1.783 5.763 ( 1.110 0.000 -1.780) 2.098 5.796 ( 0.803 0.000 -2.969) 3.076 5.818 ( -0.063 0.000 1.075) 1.077 5.852 ( -0.397 0.000 -0.371) 0.543 5.975 ( -7.276 0.000 -1.373) 7.404 6.091 ( -0.166 0.000 -0.822) 0.839 6.097 ( 3.747 0.000 1.426) 4.009 6.204 ( 2.131 0.000 1.450) 2.578 6.304 ( -5.138 0.000 0.698) 5.185 6.346 ( -2.445 0.000 -2.296) 3.354 6.396 ( -0.749 0.000 -3.456) 3.536 6.416 ( -1.966 0.000 0.061) 1.967 6.471 ( -3.323 0.000 0.779) 3.413 6.513 ( -3.099 0.000 1.223) 3.331 6.661 ( 2.328 0.000 -2.490) 3.409 6.686 ( 2.706 0.000 -0.682) 2.790 6.712 ( 2.524 0.000 -3.039) 3.950 6.712 ( 2.770 0.000 0.180) 2.775 6.774 ( 0.901 0.000 -1.165) 1.473 6.831 ( -2.454 0.000 -1.646) 2.955 6.884 ( 4.705 0.000 -5.310) 7.094 6.956 ( 0.041 0.000 -7.812) 7.812 7.065 ( 2.756 0.000 2.831) 3.951 7.083 ( 4.112 0.000 0.991) 4.230 7.127 ( 5.502 0.000 0.216) 5.506 7.150 ( 2.884 0.000 -0.703) 2.968 7.162 ( -0.523 0.000 0.251) 0.580 7.176 ( 0.745 0.000 1.493) 1.668 7.248 ( 0.571 0.000 0.204) 0.606 7.254 ( -0.754 0.000 -0.653) 0.998 7.325 ( 5.830 0.000 2.251) 6.250 7.351 ( -1.845 0.000 2.320) 2.964 7.406 ( -0.929 0.000 3.610) 3.727 7.413 ( -1.590 0.000 7.168) 7.343 7.451 ( -3.356 0.000 0.383) 3.377 7.470 ( -5.282 0.000 -0.410) 5.298 7.535 ( 2.041 0.000 1.733) 2.677 7.539 ( 2.425 0.000 -2.608) 3.561 7.664 ( 0.152 0.000 1.253) 1.262 7.670 ( -1.373 0.000 -1.369) 1.939 7.694 ( -1.548 0.000 0.843) 1.762 7.717 ( -5.035 0.000 3.383) 6.066 7.736 ( -10.040 0.000 1.012) 10.090 7.795 ( -0.957 0.000 2.585) 2.757 7.822 ( -0.462 0.000 -0.007) 0.462 7.860 ( -3.855 0.000 2.911) 4.831 7.935 ( 4.087 0.000 -0.491) 4.117 7.948 ( -8.175 0.000 5.468) 9.835 7.993 ( -3.034 0.000 3.011) 4.275 8.071 ( -1.737 0.000 -0.204) 1.749 8.198 ( 1.791 0.000 1.031) 2.067 8.210 ( 2.946 0.000 -1.381) 3.253 8.249 ( 3.218 0.000 -3.279) 4.594 8.310 ( -1.747 0.000 4.516) 4.842 8.422 ( -2.440 0.000 -3.972) 4.662 8.510 ( -4.841 0.000 -4.982) 6.947 8.552 ( -1.280 0.000 -0.732) 1.475 8.563 ( -7.321 0.000 -4.791) 8.749 8.586 ( -1.480 0.000 0.551) 1.579 8.771 ( -4.474 0.000 5.798) 7.323 8.780 ( 6.872 0.000 -2.806) 7.423 9.092 ( -7.481 0.000 -3.571) 8.290 13.429 ( 2.685 0.000 -0.333) 2.706 13.468 ( 1.384 0.000 0.133) 1.390 13.525 ( -0.827 0.000 2.920) 3.035 13.527 ( 1.106 0.000 -0.879) 1.413 13.541 ( -0.565 0.000 2.518) 2.581 13.569 ( 0.064 0.000 -2.329) 2.330 13.645 ( -3.076 0.000 -1.807) 3.568 13.681 ( -3.794 0.000 1.913) 4.249 13.866 ( -1.025 0.000 1.482) 1.802 13.920 ( -3.148 0.000 2.385) 3.949 13.950 ( -1.193 0.000 -1.527) 1.937 14.015 ( 1.297 0.000 -0.012) 1.297 14.019 ( 0.113 0.000 -0.863) 0.870 14.041 ( 4.881 0.000 -0.389) 4.896 14.280 ( -6.625 0.000 -2.325) 7.021 14.285 ( -5.917 0.000 -2.829) 6.558 15.447 ( -1.641 0.000 4.458) 4.750 15.463 ( -1.537 0.000 2.417) 2.864 15.537 ( 1.091 0.000 -1.642) 1.971 15.595 ( -0.309 0.000 1.174) 1.214 15.614 ( -2.712 0.000 -1.713) 3.208 15.644 ( -2.838 0.000 3.124) 4.220 15.700 ( 0.208 0.000 -1.352) 1.368 15.774 ( -1.921 0.000 1.752) 2.600 15.922 ( -0.169 0.000 0.143) 0.221 15.970 ( -0.321 0.000 -0.740) 0.806 15.974 ( -0.680 0.000 -0.728) 0.996 15.990 ( -4.556 0.000 -1.543) 4.811 16.095 ( -1.450 0.000 -0.942) 1.729 16.109 ( -0.405 0.000 -0.900) 0.987 16.165 ( -4.607 0.000 2.069) 5.050 16.204 ( -3.877 0.000 0.021) 3.877 16.490 ( 2.654 0.000 -0.356) 2.678 16.509 ( 1.641 0.000 0.567) 1.736 16.532 ( 2.947 0.000 -1.013) 3.116 16.551 ( 1.797 0.000 -0.347) 1.830 16.693 ( 5.005 0.000 2.897) 5.783 16.715 ( 2.361 0.000 1.868) 3.011 16.779 ( 0.983 0.000 -0.018) 0.984 16.807 ( -0.226 0.000 -0.040) 0.230 16.840 ( 2.413 0.000 -0.323) 2.434 16.889 ( 8.417 0.000 -2.196) 8.698 16.899 ( 0.841 0.000 0.890) 1.225 17.077 ( 1.709 0.000 0.314) 1.738 17.178 ( 5.350 0.000 0.204) 5.354 17.221 ( 1.581 0.000 -3.241) 3.606 17.286 ( 0.465 0.000 -0.273) 0.539 17.299 ( -1.364 0.000 -2.479) 2.830 ======================= Grid point 38 (16/36) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -10.397 0.000 -0.188) 10.398 0.810 ( 10.397 0.000 -0.188) 10.398 0.927 ( -7.356 0.000 3.225) 8.032 0.927 ( 7.356 0.000 3.225) 8.032 1.127 ( -8.846 0.000 -2.118) 9.096 1.127 ( 8.846 0.000 -2.118) 9.096 1.244 ( -3.996 0.000 1.733) 4.356 1.244 ( 3.996 0.000 1.733) 4.356 1.365 ( -0.168 0.000 2.605) 2.611 1.365 ( 0.168 0.000 2.605) 2.611 1.378 ( -2.409 0.000 2.877) 3.753 1.378 ( 2.409 0.000 2.877) 3.753 1.425 ( -4.624 0.000 1.047) 4.741 1.425 ( 4.624 0.000 1.047) 4.741 1.494 ( -3.109 0.000 -0.905) 3.238 1.494 ( 3.109 0.000 -0.905) 3.238 1.564 ( -0.440 0.000 0.055) 0.443 1.564 ( 0.440 0.000 0.055) 0.443 1.565 ( -1.108 0.000 -1.413) 1.795 1.565 ( 1.108 0.000 -1.413) 1.795 1.617 ( -0.780 0.000 -1.328) 1.540 1.617 ( 0.780 0.000 -1.328) 1.540 1.772 ( -2.290 0.000 -0.693) 2.393 1.772 ( 2.290 0.000 -0.693) 2.393 1.852 ( -5.611 0.000 3.757) 6.753 1.852 ( 5.611 0.000 3.757) 6.753 1.879 ( -3.391 0.000 -4.614) 5.726 1.879 ( 3.391 0.000 -4.614) 5.726 1.893 ( -2.255 0.000 1.352) 2.629 1.893 ( 2.255 0.000 1.352) 2.629 2.025 ( -1.060 0.000 -1.476) 1.817 2.025 ( 1.060 0.000 -1.476) 1.817 2.054 ( -3.323 0.000 -2.973) 4.459 2.054 ( 3.323 0.000 -2.973) 4.459 2.098 ( -1.403 0.000 0.791) 1.610 2.098 ( 1.403 0.000 0.791) 1.610 2.130 ( -1.657 0.000 1.425) 2.185 2.130 ( 1.657 0.000 1.425) 2.185 2.187 ( -1.503 0.000 -0.999) 1.805 2.187 ( 1.503 0.000 -0.999) 1.805 2.273 ( -4.791 0.000 -0.566) 4.824 2.273 ( 4.791 0.000 -0.566) 4.824 2.344 ( -1.299 0.000 1.791) 2.213 2.344 ( 1.299 0.000 1.791) 2.213 2.363 ( -1.137 0.000 1.556) 1.927 2.363 ( 1.137 0.000 1.556) 1.927 2.427 ( -0.052 0.000 3.434) 3.434 2.427 ( 0.052 0.000 3.434) 3.434 2.462 ( -6.156 0.000 -4.296) 7.507 2.462 ( 6.156 0.000 -4.296) 7.507 2.537 ( -2.549 0.000 -0.526) 2.603 2.537 ( 2.549 0.000 -0.526) 2.603 2.609 ( -4.386 0.000 0.354) 4.400 2.609 ( 4.386 0.000 0.354) 4.400 2.661 ( -2.398 0.000 -4.297) 4.921 2.661 ( 2.398 0.000 -4.297) 4.921 2.665 ( -1.861 0.000 1.200) 2.214 2.665 ( 1.861 0.000 1.200) 2.214 2.721 ( -3.590 0.000 -2.889) 4.608 2.721 ( 3.590 0.000 -2.889) 4.608 2.816 ( -2.514 0.000 -2.663) 3.662 2.816 ( 2.514 0.000 -2.663) 3.662 2.912 ( -3.358 0.000 1.739) 3.782 2.912 ( 3.358 0.000 1.739) 3.782 2.991 ( -1.699 0.000 -1.765) 2.450 2.991 ( 1.699 0.000 -1.765) 2.450 3.112 ( -5.924 0.000 0.685) 5.963 3.112 ( 5.924 0.000 0.685) 5.963 3.170 ( -0.758 0.000 2.937) 3.033 3.170 ( 0.758 0.000 2.937) 3.033 3.202 ( -1.788 0.000 -0.750) 1.939 3.202 ( 1.788 0.000 -0.750) 1.939 4.172 ( -1.907 0.000 1.010) 2.158 4.172 ( 1.907 0.000 1.010) 2.158 4.269 ( -2.032 0.000 -0.900) 2.223 4.269 ( 2.032 0.000 -0.900) 2.223 4.302 ( -3.272 0.000 2.840) 4.332 4.302 ( 3.272 0.000 2.840) 4.332 4.468 ( -1.311 0.000 -1.787) 2.216 4.468 ( 1.311 0.000 -1.787) 2.216 4.532 ( -2.952 0.000 0.782) 3.054 4.532 ( 2.952 0.000 0.782) 3.054 4.567 ( -3.920 0.000 -1.629) 4.245 4.567 ( 3.920 0.000 -1.629) 4.245 4.654 ( -1.410 0.000 -0.502) 1.497 4.654 ( 1.410 0.000 -0.502) 1.497 4.758 ( -4.397 0.000 1.219) 4.563 4.758 ( 4.397 0.000 1.219) 4.563 4.791 ( -2.720 0.000 3.000) 4.049 4.791 ( 2.720 0.000 3.000) 4.049 4.994 ( -2.959 0.000 -7.132) 7.722 4.994 ( 2.959 0.000 -7.132) 7.722 5.021 ( -6.177 0.000 -1.620) 6.386 5.021 ( 6.177 0.000 -1.620) 6.386 5.036 ( -5.432 0.000 -2.243) 5.877 5.036 ( 5.432 0.000 -2.243) 5.877 5.422 ( -2.163 0.000 5.646) 6.046 5.422 ( 2.163 0.000 5.646) 6.046 5.499 ( -0.373 0.000 2.414) 2.442 5.499 ( 0.373 0.000 2.414) 2.442 5.506 ( -4.323 0.000 5.081) 6.671 5.506 ( 4.323 0.000 5.081) 6.671 5.654 ( -3.537 0.000 -0.617) 3.591 5.654 ( 3.537 0.000 -0.617) 3.591 5.704 ( -6.838 0.000 -0.341) 6.847 5.704 ( 6.838 0.000 -0.341) 6.847 5.765 ( -5.831 0.000 -0.605) 5.863 5.765 ( 5.831 0.000 -0.605) 5.863 5.814 ( -5.175 0.000 -2.063) 5.571 5.814 ( 5.175 0.000 -2.063) 5.571 5.981 ( -9.071 0.000 -4.039) 9.929 5.981 ( 9.071 0.000 -4.039) 9.929 6.191 ( -5.251 0.000 1.274) 5.403 6.191 ( 5.251 0.000 1.274) 5.403 6.276 ( -4.205 0.000 0.791) 4.278 6.276 ( 4.205 0.000 0.791) 4.278 6.411 ( -1.627 0.000 0.206) 1.640 6.411 ( 1.627 0.000 0.206) 1.640 6.438 ( -3.713 0.000 0.113) 3.715 6.438 ( 3.713 0.000 0.113) 3.715 6.714 ( -2.106 0.000 -3.418) 4.014 6.714 ( 2.106 0.000 -3.418) 4.014 6.733 ( -1.193 0.000 -0.808) 1.441 6.733 ( 1.193 0.000 -0.808) 1.441 6.795 ( -1.345 0.000 -0.946) 1.644 6.795 ( 1.345 0.000 -0.946) 1.644 6.939 ( -1.632 0.000 -7.366) 7.545 6.939 ( 1.632 0.000 -7.366) 7.545 7.107 ( -3.232 0.000 0.501) 3.270 7.107 ( 3.232 0.000 0.501) 3.270 7.133 ( -2.128 0.000 -0.704) 2.241 7.133 ( 2.128 0.000 -0.704) 2.241 7.275 ( -5.281 0.000 3.567) 6.373 7.275 ( 5.281 0.000 3.567) 6.373 7.277 ( -6.245 0.000 1.332) 6.386 7.277 ( 6.245 0.000 1.332) 6.386 7.349 ( -4.077 0.000 1.172) 4.242 7.349 ( 4.077 0.000 1.172) 4.242 7.366 ( -3.115 0.000 0.065) 3.116 7.366 ( 3.115 0.000 0.065) 3.116 7.486 ( -8.363 0.000 3.064) 8.906 7.486 ( 8.363 0.000 3.064) 8.906 7.501 ( -9.588 0.000 2.196) 9.836 7.501 ( 9.588 0.000 2.196) 9.836 7.612 ( -2.424 0.000 6.333) 6.781 7.612 ( 2.424 0.000 6.333) 6.781 7.623 ( -2.677 0.000 0.034) 2.677 7.623 ( 2.677 0.000 0.034) 2.677 7.766 ( -4.794 0.000 -0.333) 4.805 7.766 ( 4.794 0.000 -0.333) 4.805 7.787 ( -1.588 0.000 3.430) 3.780 7.787 ( 1.588 0.000 3.430) 3.780 7.923 ( -3.273 0.000 2.841) 4.334 7.923 ( 3.273 0.000 2.841) 4.334 8.020 ( -3.427 0.000 -0.280) 3.439 8.020 ( 3.427 0.000 -0.280) 3.439 8.267 ( -3.128 0.000 -1.818) 3.617 8.267 ( 3.128 0.000 -1.818) 3.617 8.277 ( -2.555 0.000 -0.694) 2.648 8.277 ( 2.555 0.000 -0.694) 2.648 8.431 ( -4.283 0.000 -4.226) 6.017 8.431 ( 4.283 0.000 -4.226) 6.017 8.457 ( -2.159 0.000 -4.147) 4.675 8.457 ( 2.159 0.000 -4.147) 4.675 8.673 ( -5.007 0.000 4.311) 6.607 8.673 ( 5.007 0.000 4.311) 6.607 8.933 ( -7.858 0.000 -3.034) 8.423 8.933 ( 7.858 0.000 -3.034) 8.423 13.485 ( -2.660 0.000 0.253) 2.672 13.485 ( 2.660 0.000 0.253) 2.672 13.502 ( -1.805 0.000 1.031) 2.079 13.502 ( 1.805 0.000 1.031) 2.079 13.582 ( -2.924 0.000 -0.871) 3.051 13.582 ( 2.924 0.000 -0.871) 3.051 13.607 ( -3.213 0.000 0.496) 3.251 13.607 ( 3.213 0.000 0.496) 3.251 13.870 ( -1.416 0.000 1.748) 2.250 13.870 ( 1.416 0.000 1.748) 2.250 13.955 ( -1.826 0.000 -0.516) 1.898 13.955 ( 1.826 0.000 -0.516) 1.898 14.141 ( -6.704 0.000 -1.540) 6.878 14.141 ( 6.704 0.000 -1.540) 6.878 14.157 ( -6.290 0.000 -1.786) 6.539 14.157 ( 6.290 0.000 -1.786) 6.539 15.439 ( -0.602 0.000 2.491) 2.563 15.439 ( 0.602 0.000 2.491) 2.563 15.567 ( -1.936 0.000 -2.324) 3.025 15.567 ( 1.936 0.000 -2.324) 3.025 15.604 ( -1.186 0.000 2.215) 2.513 15.604 ( 1.186 0.000 2.215) 2.513 15.728 ( -2.319 0.000 0.373) 2.349 15.728 ( 2.319 0.000 0.373) 2.349 15.932 ( -1.327 0.000 -0.300) 1.361 15.932 ( 1.327 0.000 -0.300) 1.361 15.967 ( -0.141 0.000 -0.717) 0.731 15.967 ( 0.141 0.000 -0.717) 0.731 16.098 ( -1.795 0.000 0.498) 1.863 16.098 ( 1.795 0.000 0.498) 1.863 16.135 ( -2.641 0.000 -0.723) 2.738 16.135 ( 2.641 0.000 -0.723) 2.738 16.521 ( -0.470 0.000 0.293) 0.554 16.521 ( 0.470 0.000 0.293) 0.554 16.565 ( -0.393 0.000 -0.643) 0.754 16.565 ( 0.393 0.000 -0.643) 0.754 16.738 ( -0.135 0.000 2.077) 2.082 16.738 ( 0.135 0.000 2.077) 2.082 16.797 ( -0.711 0.000 -0.016) 0.712 16.797 ( 0.711 0.000 -0.016) 0.712 16.892 ( -1.814 0.000 0.480) 1.876 16.892 ( 1.814 0.000 0.480) 1.876 17.038 ( -5.384 0.000 -2.116) 5.784 17.038 ( 5.384 0.000 -2.116) 5.784 17.259 ( -2.129 0.000 -0.553) 2.200 17.259 ( 2.129 0.000 -0.553) 2.200 17.264 ( -2.763 0.000 -0.051) 2.764 17.264 ( 2.763 0.000 -0.051) 2.764 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 9.462 11.112) 14.595 0.425 ( 0.000 9.733 12.527) 15.864 0.744 ( 0.000 23.509 9.516) 25.362 0.781 ( 0.000 -7.634 2.421) 8.009 0.819 ( 0.000 -5.784 4.881) 7.568 0.944 ( 0.000 6.452 -1.045) 6.536 1.040 ( 0.000 2.465 -7.785) 8.166 1.066 ( 0.000 2.844 -4.734) 5.523 1.213 ( 0.000 0.437 -2.984) 3.016 1.245 ( 0.000 1.797 -0.520) 1.871 1.268 ( 0.000 5.973 1.909) 6.271 1.292 ( 0.000 0.592 -1.118) 1.265 1.349 ( 0.000 0.369 -1.472) 1.517 1.382 ( 0.000 1.749 -1.557) 2.341 1.440 ( 0.000 1.386 -0.518) 1.479 1.443 ( 0.000 -0.714 -0.312) 0.779 1.504 ( 0.000 3.808 -1.675) 4.160 1.538 ( 0.000 6.119 -0.846) 6.178 1.542 ( 0.000 0.242 4.750) 4.756 1.589 ( 0.000 0.595 -1.275) 1.407 1.632 ( 0.000 -5.649 0.441) 5.666 1.646 ( 0.000 1.938 -0.256) 1.955 1.678 ( 0.000 0.788 1.608) 1.791 1.698 ( 0.000 -2.684 -1.487) 3.068 1.722 ( 0.000 1.212 1.076) 1.621 1.740 ( 0.000 -5.431 -2.330) 5.910 1.780 ( 0.000 -4.775 2.995) 5.637 1.842 ( 0.000 -0.782 2.035) 2.180 1.894 ( 0.000 2.213 3.037) 3.757 1.895 ( 0.000 -6.087 1.631) 6.302 1.925 ( 0.000 -0.358 -1.029) 1.089 1.979 ( 0.000 2.396 0.950) 2.578 2.001 ( 0.000 3.043 -0.799) 3.146 2.022 ( 0.000 -0.249 1.047) 1.076 2.026 ( 0.000 0.811 -0.596) 1.006 2.050 ( 0.000 -1.526 0.637) 1.654 2.110 ( 0.000 1.122 -3.433) 3.612 2.132 ( 0.000 -1.213 -0.489) 1.308 2.150 ( 0.000 1.133 -0.278) 1.166 2.162 ( 0.000 0.097 0.499) 0.509 2.230 ( 0.000 3.064 1.362) 3.354 2.247 ( 0.000 -0.458 -8.007) 8.020 2.269 ( 0.000 -1.768 -3.472) 3.896 2.305 ( 0.000 1.536 -1.653) 2.256 2.325 ( 0.000 2.008 1.452) 2.478 2.370 ( 0.000 -3.338 0.513) 3.378 2.380 ( 0.000 -0.322 -2.740) 2.758 2.469 ( 0.000 0.271 3.213) 3.225 2.486 ( 0.000 0.661 -3.932) 3.988 2.486 ( 0.000 -0.544 -1.920) 1.996 2.497 ( 0.000 -0.680 -0.836) 1.078 2.501 ( 0.000 -0.216 1.535) 1.550 2.552 ( 0.000 -0.651 -4.751) 4.796 2.632 ( 0.000 0.081 0.961) 0.965 2.648 ( 0.000 -0.616 -2.713) 2.782 2.680 ( 0.000 -6.438 1.370) 6.582 2.682 ( 0.000 1.122 4.205) 4.352 2.689 ( 0.000 -3.703 -2.504) 4.470 2.744 ( 0.000 0.845 1.314) 1.562 2.800 ( 0.000 -0.251 -0.443) 0.509 2.820 ( 0.000 -1.733 0.556) 1.820 2.837 ( 0.000 0.704 0.530) 0.882 2.868 ( 0.000 -0.173 -2.783) 2.789 2.911 ( 0.000 -3.960 1.086) 4.107 3.058 ( 0.000 0.987 -1.587) 1.869 3.099 ( 0.000 0.869 3.477) 3.584 3.105 ( 0.000 0.372 -5.598) 5.610 3.136 ( 0.000 -0.655 -1.134) 1.310 3.145 ( 0.000 -4.631 0.508) 4.659 3.146 ( 0.000 -1.357 6.519) 6.659 3.211 ( 0.000 2.015 1.464) 2.491 3.346 ( 0.000 -3.581 1.142) 3.758 4.016 ( 0.000 2.122 0.363) 2.153 4.119 ( 0.000 -2.277 -0.461) 2.323 4.131 ( 0.000 2.075 -3.228) 3.838 4.165 ( 0.000 0.879 -1.514) 1.750 4.268 ( 0.000 0.596 2.331) 2.406 4.317 ( 0.000 -1.659 2.233) 2.782 4.322 ( 0.000 3.239 1.264) 3.477 4.431 ( 0.000 -1.386 -2.903) 3.217 4.436 ( 0.000 1.022 -1.565) 1.869 4.480 ( 0.000 -3.906 0.505) 3.938 4.552 ( 0.000 0.791 -4.094) 4.170 4.552 ( 0.000 -1.596 -0.678) 1.734 4.651 ( 0.000 0.700 3.273) 3.347 4.676 ( 0.000 0.633 1.030) 1.209 4.713 ( 0.000 2.692 1.158) 2.931 4.720 ( 0.000 -2.925 0.448) 2.959 4.742 ( 0.000 3.583 -0.056) 3.583 4.765 ( 0.000 -2.387 0.142) 2.391 4.802 ( 0.000 -2.354 3.025) 3.833 4.824 ( 0.000 3.229 -2.246) 3.934 4.833 ( 0.000 -0.720 1.926) 2.056 4.919 ( 0.000 -0.775 -0.161) 0.792 5.078 ( 0.000 2.508 -5.157) 5.735 5.172 ( 0.000 -1.820 -6.943) 7.177 5.269 ( 0.000 0.588 1.832) 1.924 5.332 ( 0.000 -0.945 1.022) 1.392 5.419 ( 0.000 -0.230 -1.495) 1.512 5.470 ( 0.000 -1.704 -2.705) 3.197 5.500 ( 0.000 0.518 5.860) 5.883 5.566 ( 0.000 -1.125 5.376) 5.492 5.601 ( 0.000 -0.634 1.196) 1.353 5.641 ( 0.000 -1.710 2.350) 2.906 5.687 ( 0.000 -0.448 2.741) 2.777 5.719 ( 0.000 0.115 0.186) 0.218 5.766 ( 0.000 -2.284 2.669) 3.513 5.787 ( 0.000 -0.001 -0.854) 0.854 5.800 ( 0.000 0.981 0.559) 1.129 5.844 ( 0.000 2.643 -0.961) 2.812 5.885 ( 0.000 2.127 -1.713) 2.731 5.974 ( 0.000 -3.453 -1.300) 3.689 6.079 ( 0.000 4.313 1.589) 4.596 6.200 ( 0.000 -1.778 1.751) 2.495 6.334 ( 0.000 2.592 1.279) 2.890 6.397 ( 0.000 -1.486 -2.099) 2.572 6.405 ( 0.000 -1.914 -6.200) 6.489 6.442 ( 0.000 -1.679 2.748) 3.221 6.542 ( 0.000 1.746 1.084) 2.055 6.569 ( 0.000 1.201 -3.214) 3.431 6.570 ( 0.000 0.822 -1.683) 1.873 6.592 ( 0.000 -0.153 3.687) 3.690 6.647 ( 0.000 0.217 -1.638) 1.653 6.651 ( 0.000 0.369 -0.332) 0.497 6.702 ( 0.000 2.343 1.683) 2.885 6.707 ( 0.000 3.404 -1.453) 3.701 6.858 ( 0.000 1.497 -3.805) 4.089 6.914 ( 0.000 -1.957 5.849) 6.168 6.957 ( 0.000 -1.091 3.720) 3.876 7.044 ( 0.000 -4.074 -0.690) 4.132 7.050 ( 0.000 0.232 2.175) 2.188 7.139 ( 0.000 -3.727 -1.835) 4.154 7.221 ( 0.000 1.259 -1.360) 1.853 7.236 ( 0.000 -0.295 -0.704) 0.764 7.256 ( 0.000 1.167 -3.247) 3.450 7.332 ( 0.000 -2.698 -5.304) 5.950 7.359 ( 0.000 1.000 0.551) 1.142 7.379 ( 0.000 3.603 -1.669) 3.971 7.389 ( 0.000 -2.488 5.078) 5.655 7.416 ( 0.000 0.432 2.617) 2.653 7.429 ( 0.000 -0.839 1.086) 1.372 7.481 ( 0.000 2.689 4.484) 5.229 7.483 ( 0.000 -2.513 2.973) 3.893 7.502 ( 0.000 4.641 2.353) 5.203 7.629 ( 0.000 -4.943 0.114) 4.944 7.665 ( 0.000 1.642 1.945) 2.545 7.673 ( 0.000 -2.644 2.483) 3.627 7.751 ( 0.000 1.963 -1.793) 2.658 7.798 ( 0.000 -0.526 2.765) 2.815 7.846 ( 0.000 -0.575 -2.769) 2.828 7.903 ( 0.000 -4.866 -2.998) 5.715 7.940 ( 0.000 0.329 5.326) 5.336 7.957 ( 0.000 -6.488 0.194) 6.491 7.999 ( 0.000 4.729 0.934) 4.821 8.126 ( 0.000 -5.143 -1.290) 5.303 8.189 ( 0.000 -2.580 5.798) 6.346 8.194 ( 0.000 4.628 -0.634) 4.671 8.245 ( 0.000 3.151 0.019) 3.152 8.331 ( 0.000 8.676 -2.027) 8.909 8.380 ( 0.000 -2.066 -0.261) 2.082 8.400 ( 0.000 -3.311 -0.371) 3.331 8.524 ( 0.000 2.251 -3.147) 3.869 8.589 ( 0.000 -3.299 -6.130) 6.961 8.710 ( 0.000 -3.544 -3.999) 5.343 8.761 ( 0.000 4.393 2.222) 4.923 8.856 ( 0.000 -1.506 6.774) 6.940 9.010 ( 0.000 11.666 -6.995) 13.602 9.248 ( 0.000 -2.596 -4.765) 5.426 13.374 ( 0.000 0.699 -0.278) 0.752 13.432 ( 0.000 -2.678 1.169) 2.922 13.479 ( 0.000 0.028 -0.162) 0.164 13.528 ( 0.000 -2.232 0.347) 2.259 13.597 ( 0.000 5.238 2.874) 5.975 13.635 ( 0.000 3.154 0.195) 3.160 13.712 ( 0.000 -0.729 -2.734) 2.829 13.810 ( 0.000 1.045 2.594) 2.797 13.864 ( 0.000 -4.725 -0.655) 4.770 13.890 ( 0.000 -1.930 2.432) 3.105 13.926 ( 0.000 0.184 1.748) 1.757 13.986 ( 0.000 -2.594 3.416) 4.289 14.072 ( 0.000 5.666 -3.279) 6.546 14.197 ( 0.000 5.507 0.737) 5.556 14.353 ( 0.000 -6.624 -4.487) 8.001 14.413 ( 0.000 -3.622 -3.328) 4.919 15.490 ( 0.000 -1.385 1.671) 2.170 15.503 ( 0.000 -0.375 3.640) 3.659 15.565 ( 0.000 -6.536 9.798) 11.777 15.596 ( 0.000 3.136 -1.360) 3.419 15.614 ( 0.000 -4.409 -0.567) 4.445 15.740 ( 0.000 -4.235 0.613) 4.279 15.849 ( 0.000 6.791 -5.496) 8.736 15.981 ( 0.000 1.648 -3.969) 4.297 16.018 ( 0.000 3.374 -0.866) 3.484 16.045 ( 0.000 5.612 -0.146) 5.613 16.149 ( 0.000 -0.907 1.099) 1.425 16.168 ( 0.000 0.634 1.685) 1.800 16.188 ( 0.000 -1.929 1.099) 2.220 16.234 ( 0.000 -1.429 -1.283) 1.920 16.260 ( 0.000 1.118 -2.682) 2.906 16.286 ( 0.000 -0.741 -2.153) 2.277 16.371 ( 0.000 1.248 1.555) 1.994 16.396 ( 0.000 -0.649 1.646) 1.770 16.421 ( 0.000 -0.588 0.113) 0.599 16.422 ( 0.000 0.154 0.534) 0.556 16.455 ( 0.000 -0.370 3.329) 3.349 16.504 ( 0.000 -4.746 5.076) 6.949 16.606 ( 0.000 -0.834 0.025) 0.834 16.641 ( 0.000 -1.110 -2.154) 2.423 16.801 ( 0.000 2.736 1.569) 3.154 16.831 ( 0.000 2.757 0.037) 2.757 16.851 ( 0.000 4.154 2.024) 4.621 16.955 ( 0.000 -3.718 1.029) 3.858 16.980 ( 0.000 -3.012 0.690) 3.090 17.093 ( 0.000 -7.356 2.094) 7.648 17.301 ( 0.000 10.150 -15.393) 18.439 17.324 ( 0.000 3.939 -3.388) 5.195 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 9.844 7.653 7.874) 14.747 0.696 ( 10.245 16.443 4.752) 19.948 0.833 ( 8.231 -4.776 2.085) 9.742 0.888 ( 15.338 8.252 7.670) 19.032 0.941 ( 6.707 8.581 -0.287) 10.895 1.024 ( 11.244 -2.041 2.233) 11.644 1.093 ( 3.484 2.233 -3.421) 5.369 1.182 ( 7.731 0.263 -5.336) 9.397 1.234 ( -1.158 2.373 2.318) 3.514 1.270 ( 3.356 2.657 0.107) 4.282 1.295 ( 3.546 2.742 -2.596) 5.180 1.363 ( 4.489 0.013 -1.881) 4.867 1.374 ( 2.336 1.171 -2.703) 3.760 1.420 ( 1.268 1.007 -0.376) 1.662 1.430 ( -0.117 1.993 0.359) 2.028 1.455 ( 4.467 -0.018 -3.413) 5.621 1.505 ( 0.023 3.115 -0.221) 3.123 1.528 ( -0.187 4.879 -0.269) 4.890 1.604 ( -1.934 0.001 -2.252) 2.969 1.613 ( -0.423 0.652 3.728) 3.809 1.622 ( 1.904 -0.467 4.075) 4.522 1.631 ( 3.038 -0.856 1.365) 3.439 1.676 ( 1.816 0.339 1.260) 2.236 1.733 ( 0.260 -0.792 1.246) 1.499 1.745 ( 1.517 1.072 0.220) 1.871 1.785 ( 2.904 -6.146 -3.742) 7.759 1.808 ( -2.128 -1.570 1.943) 3.281 1.831 ( 1.360 -4.332 1.200) 4.696 1.859 ( 1.760 -2.397 3.236) 4.395 1.940 ( 1.469 1.127 -2.385) 3.019 1.948 ( 1.154 -0.032 1.714) 2.066 1.972 ( -1.182 0.911 2.101) 2.577 1.998 ( -0.579 0.866 0.578) 1.192 2.027 ( 1.591 -1.812 1.119) 2.659 2.049 ( 2.201 0.851 -1.627) 2.867 2.068 ( 2.196 -0.136 1.422) 2.620 2.084 ( -1.113 1.515 -2.558) 3.174 2.132 ( 1.024 -0.411 -1.193) 1.625 2.153 ( 0.055 0.649 -0.429) 0.780 2.198 ( 3.209 -0.287 0.563) 3.270 2.209 ( 0.117 0.873 -2.712) 2.851 2.239 ( -0.741 0.877 -0.948) 1.489 2.270 ( -1.318 2.195 1.888) 3.181 2.295 ( 1.652 -1.799 -4.237) 4.891 2.318 ( -1.155 -1.506 -3.626) 4.093 2.379 ( 1.370 -0.796 -0.571) 1.685 2.386 ( -0.457 -0.938 -0.424) 1.126 2.415 ( -3.232 -0.075 -0.399) 3.257 2.469 ( -1.806 -0.401 1.419) 2.332 2.475 ( -0.838 0.627 1.128) 1.538 2.486 ( -0.612 1.435 -2.928) 3.317 2.514 ( 0.422 -2.112 -0.349) 2.181 2.557 ( 0.950 0.006 -4.004) 4.115 2.601 ( -3.035 -2.529 2.252) 4.547 2.603 ( -2.166 -0.780 -0.045) 2.302 2.661 ( -1.140 -3.125 -1.989) 3.876 2.686 ( 1.361 -0.957 -1.418) 2.187 2.711 ( 0.320 -0.747 -0.302) 0.867 2.742 ( -0.580 -0.307 0.131) 0.669 2.774 ( -0.944 0.641 1.260) 1.700 2.800 ( -1.083 -1.901 1.275) 2.532 2.816 ( 2.078 -0.332 -0.287) 2.124 2.918 ( -0.056 -1.934 -2.916) 3.499 2.947 ( 2.741 0.231 -0.670) 2.831 3.016 ( -2.186 0.817 1.763) 2.924 3.075 ( -1.887 -0.735 0.991) 2.255 3.087 ( -2.590 -1.490 -2.198) 3.710 3.101 ( -1.267 0.560 1.975) 2.412 3.122 ( -1.714 -0.747 3.910) 4.334 3.160 ( 1.416 -1.468 -1.569) 2.573 3.220 ( 0.425 1.742 0.800) 1.964 3.327 ( -2.329 -2.796 1.460) 3.921 4.073 ( 4.984 1.260 0.127) 5.142 4.121 ( 1.219 -0.152 -1.784) 2.166 4.180 ( 2.630 -1.361 -0.001) 2.961 4.202 ( 3.030 2.431 -1.460) 4.150 4.258 ( -0.754 0.435 2.669) 2.807 4.352 ( 2.626 2.226 -0.046) 3.443 4.363 ( 3.523 -1.338 1.080) 3.920 4.418 ( -0.574 0.353 -1.911) 2.027 4.443 ( 0.161 0.905 -1.717) 1.948 4.489 ( 0.958 -0.792 -0.496) 1.338 4.537 ( 0.722 -3.806 2.176) 4.443 4.585 ( -0.386 -1.217 -0.715) 1.463 4.595 ( -1.698 -0.821 1.318) 2.301 4.678 ( 0.511 -0.507 0.521) 0.889 4.682 ( -1.287 0.834 0.241) 1.552 4.724 ( 0.456 0.114 -0.895) 1.011 4.770 ( 1.927 -0.229 0.075) 1.942 4.794 ( 2.765 -0.119 -0.153) 2.772 4.842 ( 1.870 0.428 1.140) 2.231 4.862 ( 3.392 1.958 -0.327) 3.930 4.873 ( 2.728 -0.348 1.608) 3.186 4.970 ( 4.486 -1.131 -1.164) 4.771 5.044 ( -1.693 1.329 -6.107) 6.475 5.158 ( -0.740 0.242 -4.577) 4.643 5.297 ( 2.324 0.436 2.606) 3.519 5.352 ( 0.718 -1.646 0.936) 2.025 5.411 ( 0.442 1.420 -0.531) 1.579 5.484 ( -0.272 -1.199 3.931) 4.119 5.494 ( 1.232 -0.322 0.317) 1.312 5.570 ( 0.450 -0.940 4.764) 4.877 5.594 ( -0.793 -1.481 2.375) 2.909 5.650 ( 0.116 -1.389 1.961) 2.406 5.674 ( 0.563 2.013 -1.582) 2.622 5.718 ( -0.593 -0.879 -1.062) 1.501 5.739 ( -0.155 1.493 1.024) 1.817 5.768 ( -0.836 1.300 0.249) 1.565 5.845 ( 2.033 3.167 -0.596) 3.810 5.894 ( 1.383 2.848 -1.655) 3.572 6.001 ( 4.053 -3.185 -0.856) 5.225 6.010 ( 3.407 -3.150 -0.597) 4.678 6.089 ( 0.497 2.918 0.774) 3.059 6.184 ( -0.663 -0.896 1.502) 1.871 6.343 ( -2.765 -2.821 -4.393) 5.908 6.389 ( -0.668 0.213 -0.051) 0.703 6.418 ( 2.472 -1.450 -2.088) 3.546 6.452 ( 0.099 -1.880 3.025) 3.563 6.491 ( -3.182 1.393 -4.996) 6.085 6.559 ( 2.121 0.099 0.598) 2.206 6.621 ( 0.594 -0.434 -1.344) 1.532 6.635 ( 1.104 1.848 -0.512) 2.212 6.665 ( 2.615 0.671 1.080) 2.907 6.679 ( 1.970 -0.072 0.314) 1.996 6.720 ( 2.467 1.349 -2.268) 3.612 6.767 ( 6.022 2.658 -0.394) 6.595 6.868 ( 0.465 1.477 -2.397) 2.854 6.949 ( 3.264 0.241 1.345) 3.538 6.963 ( 1.482 -1.668 3.420) 4.083 7.042 ( 1.004 -0.922 0.783) 1.572 7.088 ( 0.498 -0.715 -0.593) 1.054 7.150 ( -0.241 -0.695 1.137) 1.354 7.166 ( -0.503 -1.088 -1.212) 1.705 7.204 ( -0.532 0.045 -1.305) 1.410 7.257 ( -0.857 -0.239 -1.737) 1.952 7.284 ( -3.965 2.645 0.147) 4.769 7.338 ( 0.310 2.373 -1.906) 3.059 7.370 ( -1.486 -1.186 4.635) 5.010 7.404 ( 1.394 -1.635 -1.486) 2.613 7.456 ( 0.179 0.272 2.342) 2.365 7.466 ( -0.467 2.703 2.484) 3.700 7.468 ( 2.341 -0.850 -0.801) 2.616 7.482 ( -1.290 -0.736 1.204) 1.912 7.525 ( 3.439 -2.589 1.964) 4.731 7.612 ( -2.827 0.041 -1.009) 3.002 7.661 ( -0.382 -2.870 1.953) 3.492 7.674 ( 1.037 -3.201 3.780) 5.060 7.725 ( -2.029 0.988 -0.944) 2.446 7.800 ( 0.506 -1.921 1.995) 2.815 7.818 ( -3.421 -3.462 -0.678) 4.914 7.885 ( -1.281 -0.734 -2.691) 3.070 7.891 ( -4.237 0.063 4.020) 5.841 7.951 ( -1.154 -4.428 1.679) 4.874 7.967 ( -3.187 2.434 2.321) 4.634 8.099 ( -5.280 -5.796 1.580) 7.998 8.124 ( -3.447 -3.037 1.763) 4.921 8.183 ( -0.331 6.481 0.697) 6.527 8.237 ( -1.293 3.665 -0.683) 3.946 8.316 ( 0.935 7.469 -1.806) 7.741 8.388 ( -0.460 0.229 -0.446) 0.680 8.435 ( 1.879 -2.795 -0.645) 3.429 8.520 ( -0.306 0.793 -2.169) 2.330 8.569 ( -1.751 -2.392 -5.663) 6.392 8.660 ( -4.837 -2.218 -3.491) 6.364 8.681 ( -5.098 4.156 2.430) 7.012 8.816 ( -3.691 -1.594 6.542) 7.678 8.928 ( -5.461 11.225 -3.466) 12.955 9.193 ( -5.062 -3.003 -4.331) 7.307 13.390 ( 1.572 0.643 -0.298) 1.724 13.436 ( 0.624 -1.616 0.588) 1.830 13.489 ( 0.879 -0.162 0.141) 0.905 13.525 ( -0.089 -1.798 0.616) 1.903 13.589 ( -0.798 4.582 1.989) 5.058 13.622 ( -1.395 2.636 -0.342) 3.002 13.693 ( -1.747 -0.471 -2.120) 2.787 13.760 ( -3.800 -0.216 1.189) 3.988 13.871 ( -0.086 -2.182 1.829) 2.849 13.902 ( 1.810 -2.437 0.670) 3.108 13.928 ( 0.993 -1.602 1.916) 2.688 13.965 ( -1.803 -2.190 3.335) 4.378 14.045 ( -2.360 5.281 -2.699) 6.383 14.154 ( -3.789 4.854 0.601) 6.187 14.313 ( -3.747 -6.394 -4.102) 8.470 14.369 ( -3.973 -3.294 -2.579) 5.770 15.479 ( -1.611 -1.565 3.371) 4.051 15.489 ( -1.405 -0.995 3.514) 3.914 15.521 ( -1.164 -0.592 4.194) 4.393 15.592 ( -1.386 -2.564 -0.904) 3.051 15.622 ( 0.467 -0.330 1.583) 1.683 15.708 ( -2.606 -2.233 0.482) 3.465 15.778 ( -4.994 4.289 -4.697) 8.087 15.888 ( -5.596 3.370 0.329) 6.541 15.983 ( -2.287 4.255 0.301) 4.840 16.027 ( -1.038 3.290 -1.117) 3.626 16.050 ( -2.736 5.362 0.707) 6.061 16.107 ( -4.989 0.433 -0.255) 5.014 16.138 ( -3.585 -1.432 -1.376) 4.098 16.154 ( -4.648 -0.057 -1.658) 4.935 16.228 ( -2.977 -2.872 2.053) 4.618 16.282 ( -4.569 -1.313 1.976) 5.148 16.408 ( 4.849 -0.609 -1.545) 5.125 16.454 ( 4.886 0.865 0.049) 4.963 16.472 ( 4.573 1.436 -0.743) 4.850 16.513 ( 4.368 1.659 -0.196) 4.676 16.535 ( 6.722 -0.701 2.865) 7.340 16.613 ( 4.070 -2.622 1.136) 4.973 16.683 ( 4.210 -4.044 -1.703) 6.081 16.704 ( 5.002 -5.623 -0.789) 7.567 16.826 ( 2.727 3.670 1.990) 4.986 16.847 ( 1.300 3.722 -0.003) 3.943 16.874 ( 2.684 4.462 1.570) 5.439 17.005 ( 3.874 -2.957 1.521) 5.105 17.031 ( 4.998 -3.365 0.341) 6.035 17.108 ( 1.496 -6.563 1.446) 6.885 17.317 ( 0.454 4.655 -8.070) 9.327 17.346 ( 0.939 3.665 -6.250) 7.306 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 11.271 7.013 3.443) 13.714 0.835 ( 6.661 13.606 3.960) 15.659 0.979 ( 5.144 0.096 0.803) 5.208 1.038 ( 5.268 8.433 -3.929) 10.691 1.124 ( 0.599 4.585 -0.250) 4.631 1.152 ( -3.543 3.987 3.479) 6.368 1.214 ( 3.476 0.107 0.798) 3.568 1.272 ( 3.478 -2.887 1.555) 4.780 1.283 ( 7.100 0.204 -0.384) 7.113 1.337 ( 3.528 -0.355 1.794) 3.974 1.362 ( -0.499 0.766 -0.904) 1.285 1.404 ( -0.605 0.819 -0.689) 1.229 1.421 ( 2.082 1.386 -0.662) 2.587 1.445 ( 0.858 4.149 -0.658) 4.288 1.499 ( 3.200 -0.876 -2.124) 3.939 1.503 ( 0.465 4.070 -0.994) 4.215 1.548 ( 1.391 1.412 -0.553) 2.058 1.563 ( 3.708 1.510 -2.971) 4.986 1.570 ( -0.337 -1.463 0.034) 1.501 1.580 ( 5.490 2.956 2.025) 6.556 1.629 ( -0.837 2.875 2.315) 3.785 1.655 ( -0.194 1.330 2.612) 2.937 1.718 ( 1.058 -0.374 -0.309) 1.164 1.743 ( 0.111 1.181 2.444) 2.717 1.768 ( 1.619 -0.394 2.778) 3.239 1.807 ( 1.659 0.195 0.318) 1.701 1.829 ( -0.093 -2.762 0.365) 2.788 1.855 ( -0.838 -3.070 -0.015) 3.182 1.873 ( 2.551 -4.634 -1.512) 5.502 1.944 ( -0.735 1.398 -1.576) 2.231 1.965 ( 2.157 -3.220 0.024) 3.876 1.999 ( 1.228 -4.043 -0.034) 4.226 2.012 ( 0.821 1.728 0.023) 1.913 2.050 ( 2.129 -4.498 1.157) 5.109 2.065 ( 0.543 -0.520 -2.938) 3.033 2.098 ( 1.786 1.918 -0.473) 2.663 2.130 ( -1.027 -1.453 0.286) 1.802 2.151 ( 0.493 1.191 0.886) 1.564 2.161 ( 4.179 0.431 0.775) 4.272 2.189 ( -1.435 -0.308 -0.061) 1.469 2.229 ( -1.780 0.813 -0.262) 1.975 2.273 ( 3.543 0.203 -0.491) 3.583 2.315 ( 0.920 -0.913 -2.249) 2.596 2.335 ( 3.612 0.850 -1.239) 3.912 2.339 ( 1.173 -0.685 -0.339) 1.400 2.351 ( 0.724 -0.581 0.554) 1.081 2.377 ( -0.813 0.122 -0.656) 1.052 2.420 ( -0.167 -1.308 1.698) 2.150 2.436 ( 0.674 0.936 2.177) 2.464 2.468 ( 2.026 0.376 1.351) 2.464 2.499 ( 2.320 -0.222 -3.335) 4.069 2.558 ( 0.172 -1.160 -1.965) 2.289 2.570 ( 2.948 -2.189 -2.189) 4.275 2.585 ( 1.826 -0.693 -0.889) 2.146 2.590 ( 0.634 -0.092 -2.002) 2.102 2.617 ( -2.216 -0.862 -0.667) 2.470 2.669 ( -2.225 -0.887 -1.013) 2.601 2.690 ( -1.233 -0.946 -4.144) 4.425 2.735 ( -2.024 -1.859 1.140) 2.975 2.743 ( -1.688 -0.771 1.132) 2.174 2.851 ( 4.480 0.943 0.381) 4.594 2.867 ( -3.074 -0.008 -3.248) 4.472 2.888 ( 0.160 -0.889 -3.209) 3.334 2.935 ( 0.632 -1.000 1.646) 2.026 2.993 ( -1.545 -0.215 2.955) 3.341 3.016 ( -3.007 0.018 -3.268) 4.441 3.039 ( -2.473 0.416 -1.422) 2.883 3.105 ( 1.339 -1.470 1.502) 2.492 3.119 ( 1.696 -1.923 2.789) 3.788 3.185 ( 0.667 -0.250 0.776) 1.054 3.212 ( -1.308 0.078 0.169) 1.322 3.255 ( -4.243 -1.237 2.018) 4.859 4.147 ( 0.847 -0.414 -0.394) 1.022 4.180 ( 4.065 0.156 -0.247) 4.075 4.220 ( -0.099 -0.145 1.909) 1.918 4.249 ( 2.900 0.322 0.804) 3.026 4.279 ( 3.000 2.777 -1.203) 4.262 4.366 ( -1.130 1.388 2.134) 2.785 4.418 ( 1.711 -0.542 0.306) 1.821 4.444 ( 1.812 -1.125 -0.499) 2.190 4.465 ( 1.169 0.597 -1.216) 1.789 4.509 ( 2.563 0.154 0.154) 2.572 4.536 ( 0.738 -0.979 2.616) 2.889 4.598 ( 1.392 -2.623 -0.972) 3.124 4.618 ( 1.709 -1.429 -0.734) 2.346 4.653 ( -1.251 0.800 -0.738) 1.658 4.708 ( 2.406 -1.154 0.420) 2.701 4.745 ( 1.569 1.386 -2.171) 3.017 4.806 ( 0.334 -1.101 -0.743) 1.369 4.856 ( -1.501 0.707 2.928) 3.366 4.867 ( 3.957 -0.958 0.525) 4.105 4.914 ( 3.059 0.339 -1.355) 3.363 4.942 ( 3.844 0.978 -2.944) 4.940 5.014 ( 0.239 -1.331 -5.784) 5.940 5.073 ( 1.682 -0.266 -1.788) 2.469 5.136 ( -1.793 1.238 -3.194) 3.866 5.346 ( 1.673 -0.263 2.574) 3.081 5.358 ( 3.440 -1.112 5.424) 6.519 5.466 ( 2.924 1.075 1.507) 3.461 5.475 ( 0.359 0.534 4.818) 4.861 5.532 ( 0.663 0.146 2.263) 2.363 5.565 ( 1.510 0.785 2.915) 3.375 5.638 ( 3.776 -0.071 -1.345) 4.009 5.645 ( -1.030 -0.901 0.074) 1.370 5.672 ( -0.683 -2.237 -1.264) 2.659 5.678 ( -1.753 3.397 1.417) 4.077 5.724 ( 0.622 -3.145 -1.415) 3.505 5.773 ( 0.128 0.838 -0.213) 0.875 5.879 ( -0.523 2.390 -2.469) 3.476 5.890 ( -1.676 2.759 -1.954) 3.773 5.967 ( -6.663 -0.837 -1.455) 6.871 6.054 ( -0.421 -2.731 0.322) 2.782 6.120 ( 3.509 2.097 0.771) 4.160 6.213 ( 3.231 0.622 1.064) 3.458 6.299 ( -1.156 -2.687 -2.845) 4.081 6.329 ( -4.114 2.301 1.441) 4.929 6.393 ( -3.079 -1.061 1.369) 3.533 6.427 ( -3.221 -1.101 0.188) 3.410 6.468 ( 0.517 1.775 -2.876) 3.419 6.571 ( -2.453 3.740 0.227) 4.479 6.633 ( 1.841 -1.473 -1.707) 2.911 6.664 ( 1.574 -1.869 -0.556) 2.506 6.715 ( 2.852 0.505 -0.405) 2.925 6.739 ( 3.110 0.776 0.507) 3.245 6.769 ( 2.070 0.488 -1.734) 2.744 6.828 ( -1.051 0.954 -0.963) 1.716 6.900 ( 2.595 1.314 -5.850) 6.533 6.983 ( -1.360 1.491 -5.803) 6.144 7.068 ( 6.785 0.131 2.366) 7.187 7.077 ( 4.793 -0.684 1.542) 5.081 7.118 ( 2.260 0.314 -0.559) 2.349 7.169 ( -1.530 1.013 0.442) 1.887 7.186 ( 2.810 2.366 0.821) 3.763 7.202 ( 2.066 0.129 1.673) 2.662 7.241 ( -1.257 1.246 0.502) 1.840 7.265 ( 4.487 1.180 0.913) 4.728 7.330 ( -1.226 -0.648 3.334) 3.611 7.364 ( 2.058 1.809 -0.480) 2.782 7.410 ( -1.960 0.129 2.387) 3.092 7.436 ( -1.818 -0.541 0.929) 2.113 7.447 ( -0.817 1.383 2.216) 2.737 7.475 ( -3.542 0.826 0.541) 3.677 7.492 ( 1.916 -2.589 -1.491) 3.549 7.549 ( 2.039 -0.537 -0.957) 2.316 7.599 ( 1.176 -3.164 1.471) 3.682 7.655 ( -1.053 -3.674 1.830) 4.238 7.670 ( -2.234 -3.315 2.157) 4.542 7.687 ( -2.296 -1.427 1.370) 3.031 7.733 ( -4.657 0.408 -0.327) 4.686 7.776 ( -3.627 0.082 5.657) 6.720 7.824 ( -1.435 -3.866 0.667) 4.177 7.836 ( -2.733 1.018 0.594) 2.976 7.876 ( -5.958 -2.808 3.770) 7.589 7.917 ( -2.631 -4.266 1.428) 5.212 7.942 ( -4.084 -2.440 3.622) 5.980 8.067 ( -3.289 -5.779 -2.122) 6.980 8.196 ( 1.258 5.527 1.342) 5.825 8.222 ( -0.001 3.250 -2.025) 3.829 8.365 ( -0.387 2.521 -3.429) 4.274 8.373 ( 3.578 6.885 -1.767) 7.958 8.423 ( -1.725 2.073 0.079) 2.699 8.497 ( -3.603 -2.033 -5.644) 6.998 8.540 ( -5.640 -1.039 -2.949) 6.448 8.555 ( 1.415 -0.187 1.017) 1.753 8.621 ( -2.415 1.352 0.369) 2.792 8.732 ( -3.856 -3.061 5.758) 7.576 8.852 ( -0.567 6.289 -2.754) 6.889 9.063 ( -7.186 -3.020 -3.561) 8.570 13.434 ( 2.649 0.525 -0.248) 2.712 13.461 ( 1.774 -0.586 0.246) 1.884 13.510 ( 0.785 -0.372 1.250) 1.523 13.526 ( 0.291 -0.880 1.733) 1.965 13.568 ( -1.718 2.463 -0.752) 3.096 13.586 ( -0.750 1.406 -0.953) 1.857 13.644 ( -2.855 -0.074 -1.189) 3.094 13.683 ( -3.790 0.032 1.429) 4.051 13.866 ( 0.422 0.043 1.102) 1.181 13.918 ( -1.921 -0.163 2.207) 2.930 13.953 ( 1.541 -2.270 -0.679) 2.827 13.986 ( 2.621 -0.895 -0.889) 2.909 14.006 ( 0.499 0.885 0.622) 1.191 14.072 ( -2.572 2.600 0.211) 3.664 14.212 ( -5.835 -5.518 -3.004) 8.574 14.264 ( -6.047 -2.833 -1.627) 6.873 15.444 ( -0.937 -0.147 3.407) 3.536 15.464 ( -1.261 0.093 1.245) 1.774 15.519 ( 0.485 -1.106 1.464) 1.897 15.561 ( -1.400 -2.478 0.312) 2.863 15.621 ( -0.292 0.829 0.798) 1.187 15.661 ( -2.031 0.737 -0.419) 2.201 15.707 ( -1.244 0.679 -2.386) 2.775 15.795 ( -3.915 1.039 0.762) 4.121 15.955 ( -0.531 3.120 0.320) 3.181 15.994 ( -2.244 2.675 -0.445) 3.520 16.007 ( -1.304 2.898 -0.236) 3.187 16.032 ( -2.060 2.641 -0.668) 3.415 16.084 ( -1.501 -0.650 -0.769) 1.807 16.101 ( -0.385 -0.804 -0.877) 1.251 16.149 ( -3.844 -1.335 1.357) 4.290 16.199 ( -3.744 -0.908 -0.549) 3.892 16.494 ( 3.109 0.536 -0.204) 3.161 16.519 ( 1.766 1.111 0.828) 2.245 16.557 ( 3.027 2.301 -1.166) 3.977 16.576 ( 1.873 2.490 -0.692) 3.191 16.649 ( 3.753 -2.930 1.790) 5.086 16.673 ( 1.830 -3.015 1.251) 3.742 16.743 ( 1.826 -4.489 -0.987) 4.946 16.766 ( 1.185 -5.224 -1.100) 5.469 16.884 ( 2.624 5.710 1.348) 6.427 16.900 ( 2.992 3.551 2.652) 5.347 16.969 ( 6.340 4.985 -1.178) 8.151 17.086 ( 3.035 -1.293 2.338) 4.043 17.136 ( 3.411 -5.180 -0.600) 6.231 17.162 ( 4.900 -3.561 0.557) 6.083 17.297 ( -2.813 1.902 -5.358) 6.343 17.334 ( -1.745 1.484 -2.233) 3.199 ======================= Grid point 45 (20/36) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -6.012 8.786 -1.097) 10.702 0.919 ( 6.012 8.786 -1.097) 10.702 1.003 ( -6.244 6.427 4.134) 9.868 1.003 ( 6.244 6.427 4.134) 9.868 1.169 ( -2.126 2.689 -2.506) 4.246 1.169 ( 2.126 2.689 -2.506) 4.246 1.251 ( -4.293 0.453 2.223) 4.856 1.251 ( 4.293 0.453 2.223) 4.856 1.329 ( -1.591 -1.947 1.416) 2.886 1.329 ( 1.591 -1.947 1.416) 2.886 1.366 ( -0.782 0.545 2.237) 2.432 1.366 ( 0.782 0.545 2.238) 2.432 1.445 ( -2.492 0.629 1.361) 2.908 1.445 ( 2.492 0.629 1.361) 2.908 1.509 ( -0.536 1.843 -1.043) 2.184 1.509 ( 0.536 1.843 -1.043) 2.184 1.577 ( -2.831 1.867 -0.988) 3.532 1.577 ( 2.831 1.867 -0.988) 3.532 1.604 ( -1.109 1.649 -2.752) 3.394 1.604 ( 1.109 1.649 -2.752) 3.394 1.668 ( -1.197 5.203 -0.232) 5.344 1.668 ( 1.197 5.203 -0.232) 5.344 1.768 ( -0.540 -0.795 1.317) 1.631 1.768 ( 0.540 -0.795 1.317) 1.631 1.803 ( -2.286 -3.904 -1.437) 4.747 1.803 ( 2.286 -3.904 -1.437) 4.747 1.856 ( -4.243 -0.656 2.075) 4.768 1.856 ( 4.243 -0.656 2.075) 4.768 1.895 ( -2.482 -1.988 -0.253) 3.190 1.895 ( 2.482 -1.988 -0.253) 3.190 1.997 ( -0.980 -3.086 -1.310) 3.493 1.997 ( 0.980 -3.086 -1.310) 3.493 2.054 ( -2.919 0.434 -1.907) 3.513 2.054 ( 2.919 0.434 -1.907) 3.513 2.086 ( -1.702 -1.468 1.822) 2.893 2.086 ( 1.702 -1.468 1.822) 2.893 2.152 ( -1.840 1.756 1.000) 2.733 2.152 ( 1.840 1.756 1.000) 2.733 2.181 ( -1.821 -1.979 -0.829) 2.815 2.181 ( 1.821 -1.979 -0.829) 2.815 2.243 ( -4.098 0.153 -0.699) 4.160 2.243 ( 4.098 0.153 -0.699) 4.160 2.347 ( -1.641 -0.095 -0.073) 1.645 2.347 ( 1.641 -0.095 -0.073) 1.645 2.365 ( -1.600 -0.289 1.783) 2.413 2.365 ( 1.600 -0.289 1.783) 2.413 2.411 ( -1.721 -1.251 1.743) 2.750 2.411 ( 1.721 -1.251 1.743) 2.750 2.479 ( -3.736 1.116 -3.508) 5.245 2.479 ( 3.736 1.116 -3.508) 5.245 2.540 ( -2.049 0.271 0.157) 2.073 2.540 ( 2.049 0.271 0.157) 2.073 2.579 ( -3.071 -2.125 1.035) 3.875 2.579 ( 3.071 -2.125 1.035) 3.875 2.648 ( -1.989 -1.184 -3.764) 4.419 2.648 ( 1.989 -1.184 -3.764) 4.419 2.664 ( -3.324 -0.479 -0.325) 3.374 2.664 ( 3.324 -0.479 -0.325) 3.374 2.708 ( -4.226 -1.185 -2.400) 5.002 2.708 ( 4.226 -1.185 -2.400) 5.002 2.817 ( -1.372 0.106 -1.988) 2.418 2.817 ( 1.372 0.106 -1.988) 2.418 2.930 ( -3.341 1.597 1.104) 3.864 2.930 ( 3.341 1.597 1.104) 3.864 2.981 ( -1.802 -0.858 -1.540) 2.521 2.981 ( 1.802 -0.858 -1.540) 2.521 3.090 ( -4.102 -1.804 -0.630) 4.525 3.090 ( 4.102 -1.804 -0.630) 4.525 3.153 ( -1.998 -1.186 3.137) 3.904 3.153 ( 1.998 -1.186 3.137) 3.904 3.201 ( -1.305 -0.269 0.521) 1.431 3.201 ( 1.305 -0.269 0.521) 1.431 4.170 ( -1.679 -0.263 1.228) 2.096 4.170 ( 1.679 -0.263 1.228) 2.096 4.272 ( -2.358 0.866 -0.757) 2.623 4.272 ( 2.358 0.866 -0.757) 2.623 4.325 ( -2.228 1.511 1.753) 3.212 4.325 ( 2.228 1.511 1.753) 3.212 4.447 ( -1.389 -1.627 -0.925) 2.330 4.447 ( 1.389 -1.627 -0.925) 2.330 4.518 ( -2.984 -1.163 0.939) 3.337 4.518 ( 2.984 -1.163 0.939) 3.337 4.587 ( -2.535 0.776 -0.134) 2.654 4.587 ( 2.535 0.776 -0.134) 2.654 4.639 ( -0.597 -0.006 -1.140) 1.287 4.639 ( 0.597 -0.006 -1.140) 1.287 4.773 ( -3.278 -1.300 0.381) 3.547 4.773 ( 3.278 -1.300 0.381) 3.547 4.785 ( -3.093 1.959 0.743) 3.736 4.785 ( 3.093 1.959 0.743) 3.736 4.947 ( -2.791 -3.596 -1.956) 4.955 4.947 ( 2.791 -3.596 -1.956) 4.955 5.023 ( -2.469 0.514 -4.147) 4.853 5.023 ( 2.469 0.514 -4.147) 4.853 5.064 ( -3.458 1.298 -3.297) 4.951 5.064 ( 3.458 1.298 -3.297) 4.951 5.414 ( -2.824 -0.542 5.356) 6.080 5.414 ( 2.824 -0.542 5.356) 6.080 5.478 ( -2.849 -0.593 6.118) 6.775 5.478 ( 2.849 -0.593 6.118) 6.775 5.560 ( -1.855 3.519 1.641) 4.303 5.560 ( 1.855 3.519 1.641) 4.303 5.654 ( -1.813 -0.183 -0.925) 2.044 5.654 ( 1.813 -0.183 -0.925) 2.044 5.695 ( -3.398 -0.948 -0.171) 3.532 5.695 ( 3.398 -0.948 -0.171) 3.532 5.749 ( -3.355 -1.289 0.100) 3.595 5.749 ( 3.355 -1.289 0.100) 3.595 5.827 ( -3.752 1.358 -3.117) 5.063 5.827 ( 3.752 1.358 -3.117) 5.063 5.966 ( -6.636 -1.448 -3.816) 7.791 5.966 ( 6.636 -1.448 -3.816) 7.791 6.214 ( -4.747 2.147 1.283) 5.366 6.214 ( 4.747 2.147 1.283) 5.366 6.288 ( -1.369 0.576 -0.169) 1.495 6.288 ( 1.369 0.576 -0.169) 1.495 6.363 ( -1.655 -1.732 1.334) 2.742 6.363 ( 1.655 -1.732 1.334) 2.742 6.506 ( -3.057 3.514 -0.776) 4.721 6.506 ( 3.057 3.514 -0.776) 4.721 6.669 ( -1.123 -2.162 -0.914) 2.602 6.669 ( 1.123 -2.162 -0.914) 2.602 6.767 ( -0.932 0.387 -0.793) 1.283 6.767 ( 0.932 0.387 -0.793) 1.283 6.803 ( -1.235 2.104 -1.477) 2.851 6.803 ( 1.235 2.104 -1.477) 2.851 6.945 ( -1.950 -0.109 -6.375) 6.668 6.945 ( 1.950 -0.109 -6.375) 6.668 7.117 ( -1.854 1.005 0.685) 2.217 7.117 ( 1.854 1.005 0.685) 2.217 7.149 ( -1.473 1.487 -0.687) 2.203 7.149 ( 1.473 1.487 -0.687) 2.203 7.252 ( -3.972 -1.399 3.031) 5.188 7.252 ( 3.972 -1.399 3.031) 5.188 7.295 ( -2.994 -0.036 1.152) 3.209 7.295 ( 2.994 -0.036 1.152) 3.209 7.347 ( -1.243 0.046 0.291) 1.278 7.347 ( 1.243 0.046 0.291) 1.278 7.384 ( -2.483 3.027 1.523) 4.200 7.384 ( 2.483 3.027 1.523) 4.200 7.489 ( -4.931 -0.192 1.650) 5.203 7.489 ( 4.931 -0.192 1.650) 5.203 7.526 ( -6.837 2.046 2.593) 7.593 7.526 ( 6.837 2.046 2.593) 7.593 7.591 ( -1.926 -0.564 1.977) 2.817 7.591 ( 1.926 -0.564 1.977) 2.817 7.644 ( -2.673 0.775 2.640) 3.836 7.644 ( 2.673 0.775 2.640) 3.836 7.700 ( -2.663 -6.083 3.459) 7.487 7.700 ( 2.663 -6.083 3.459) 7.487 7.775 ( -2.112 -0.415 -0.218) 2.164 7.775 ( 2.112 -0.415 -0.218) 2.164 7.866 ( -2.216 -3.652 2.059) 4.742 7.866 ( 2.216 -3.652 2.059) 4.742 7.983 ( -4.581 -6.215 -0.747) 7.757 7.983 ( 4.581 -6.215 -0.747) 7.757 8.219 ( -0.648 3.806 0.386) 3.880 8.219 ( 0.648 3.806 0.386) 3.880 8.385 ( -1.813 0.387 -5.633) 5.930 8.385 ( 1.813 0.387 -5.633) 5.930 8.439 ( -2.086 2.711 -2.295) 4.119 8.439 ( 2.086 2.711 -2.295) 4.119 8.503 ( -5.272 4.393 -1.466) 7.018 8.503 ( 5.272 4.393 -1.466) 7.018 8.649 ( -4.184 -2.294 4.512) 6.568 8.649 ( 4.184 -2.294 4.512) 6.568 8.922 ( -6.145 -0.953 -3.093) 6.945 8.922 ( 6.145 -0.953 -3.093) 6.945 13.486 ( -1.427 0.074 0.250) 1.451 13.486 ( 1.427 0.074 0.250) 1.451 13.508 ( -1.290 0.421 1.276) 1.862 13.508 ( 1.290 0.421 1.276) 1.862 13.580 ( -2.670 -0.131 -0.828) 2.799 13.580 ( 2.670 -0.131 -0.828) 2.799 13.613 ( -2.361 0.578 0.096) 2.432 13.613 ( 2.361 0.578 0.096) 2.432 13.887 ( -1.233 1.640 1.302) 2.431 13.887 ( 1.233 1.640 1.302) 2.431 13.964 ( -1.753 0.884 -0.693) 2.082 13.964 ( 1.753 0.884 -0.693) 2.082 14.088 ( -5.506 -4.090 -1.227) 6.967 14.088 ( 5.506 -4.090 -1.227) 6.967 14.138 ( -5.747 -2.286 -0.720) 6.226 14.138 ( 5.747 -2.286 -0.720) 6.226 15.442 ( -0.672 0.356 1.625) 1.794 15.442 ( 0.672 0.356 1.625) 1.794 15.536 ( -1.101 -1.983 0.689) 2.370 15.536 ( 1.101 -1.983 0.689) 2.370 15.626 ( -1.026 1.252 -0.565) 1.715 15.626 ( 1.026 1.252 -0.565) 1.715 15.727 ( -2.567 -0.240 0.064) 2.579 15.727 ( 2.567 -0.240 0.064) 2.579 15.958 ( -0.883 2.782 0.288) 2.933 15.958 ( 0.883 2.782 0.288) 2.933 16.005 ( -0.793 2.865 -0.627) 3.038 16.005 ( 0.793 2.865 -0.627) 3.038 16.085 ( -1.465 -1.189 0.402) 1.929 16.085 ( 1.465 -1.189 0.402) 1.929 16.132 ( -2.461 -0.402 -1.123) 2.735 16.132 ( 2.461 -0.402 -1.123) 2.735 16.531 ( -0.566 1.044 0.446) 1.268 16.531 ( 0.566 1.044 0.446) 1.268 16.591 ( -0.405 2.519 -0.913) 2.710 16.591 ( 0.405 2.519 -0.913) 2.710 16.688 ( -0.384 -3.329 1.359) 3.616 16.688 ( 0.384 -3.329 1.359) 3.616 16.768 ( -0.678 -4.388 -0.849) 4.521 16.768 ( 0.678 -4.388 -0.849) 4.521 16.925 ( -0.672 4.698 2.090) 5.186 16.925 ( 0.672 4.698 2.090) 5.186 17.083 ( -3.507 1.898 -0.480) 4.017 17.083 ( 3.507 1.898 -0.480) 4.017 17.205 ( -3.376 -2.455 -0.614) 4.219 17.205 ( 3.376 -2.455 -0.614) 4.219 17.277 ( -3.550 -0.591 -1.443) 3.878 17.277 ( 3.550 -0.591 -1.443) 3.878 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 -5.112 7.411) 9.003 0.594 ( 0.000 5.112 7.411) 9.003 0.620 ( 0.000 -2.566 6.579) 7.062 0.620 ( 0.000 2.566 6.579) 7.062 1.059 ( 0.000 -3.836 -4.018) 5.555 1.059 ( 0.000 3.836 -4.018) 5.555 1.114 ( 0.000 -1.166 -5.773) 5.890 1.114 ( 0.000 1.166 -5.773) 5.890 1.171 ( 0.000 -8.929 0.761) 8.962 1.171 ( 0.000 8.929 0.761) 8.962 1.385 ( 0.000 -3.136 -3.434) 4.650 1.385 ( 0.000 3.136 -3.434) 4.650 1.418 ( 0.000 -5.496 1.302) 5.648 1.418 ( 0.000 5.496 1.302) 5.648 1.464 ( 0.000 -6.489 -0.781) 6.536 1.464 ( 0.000 6.489 -0.781) 6.536 1.491 ( 0.000 -9.044 1.379) 9.149 1.491 ( 0.000 9.044 1.379) 9.149 1.564 ( 0.000 -1.305 0.707) 1.484 1.564 ( 0.000 1.305 0.707) 1.484 1.636 ( 0.000 -1.817 -1.414) 2.303 1.636 ( 0.000 1.817 -1.414) 2.303 1.652 ( 0.000 -4.803 0.667) 4.849 1.652 ( 0.000 4.803 0.667) 4.849 1.708 ( 0.000 -2.732 0.409) 2.763 1.708 ( 0.000 2.732 0.409) 2.763 1.754 ( 0.000 -3.871 4.985) 6.312 1.754 ( 0.000 3.871 4.985) 6.312 1.867 ( 0.000 -3.165 2.960) 4.334 1.867 ( 0.000 3.165 2.960) 4.334 1.957 ( 0.000 -3.794 2.674) 4.642 1.957 ( 0.000 3.794 2.674) 4.642 2.012 ( 0.000 -0.634 2.838) 2.908 2.012 ( 0.000 0.634 2.838) 2.908 2.058 ( 0.000 -0.888 -2.105) 2.284 2.058 ( 0.000 0.888 -2.105) 2.284 2.139 ( 0.000 -0.411 -3.573) 3.596 2.139 ( 0.000 0.411 -3.573) 3.596 2.185 ( 0.000 -2.692 -1.603) 3.133 2.185 ( 0.000 2.692 -1.603) 3.133 2.234 ( 0.000 -0.119 -7.816) 7.817 2.234 ( 0.000 0.119 -7.816) 7.817 2.273 ( 0.000 -2.355 1.138) 2.616 2.273 ( 0.000 2.355 1.138) 2.616 2.361 ( 0.000 -0.298 -1.238) 1.273 2.361 ( 0.000 0.298 -1.238) 1.273 2.405 ( 0.000 -6.380 0.884) 6.441 2.405 ( 0.000 6.380 0.884) 6.441 2.480 ( 0.000 -0.055 -3.589) 3.589 2.480 ( 0.000 0.055 -3.589) 3.589 2.526 ( 0.000 -5.002 0.463) 5.023 2.526 ( 0.000 5.002 0.463) 5.023 2.542 ( 0.000 -3.775 1.155) 3.948 2.542 ( 0.000 3.775 1.155) 3.948 2.632 ( 0.000 -0.127 -0.771) 0.782 2.632 ( 0.000 0.127 -0.771) 0.782 2.682 ( 0.000 -0.845 0.529) 0.997 2.682 ( 0.000 0.845 0.529) 0.997 2.776 ( 0.000 -2.388 0.671) 2.480 2.776 ( 0.000 2.388 0.671) 2.480 2.826 ( 0.000 -2.765 1.683) 3.237 2.826 ( 0.000 2.765 1.683) 3.237 2.860 ( 0.000 -0.022 -2.397) 2.397 2.860 ( 0.000 0.022 -2.397) 2.397 3.084 ( 0.000 -1.843 -1.308) 2.261 3.084 ( 0.000 1.843 -1.308) 2.261 3.118 ( 0.000 -0.465 -4.258) 4.284 3.118 ( 0.000 0.465 -4.258) 4.284 3.122 ( 0.000 -0.801 6.051) 6.104 3.122 ( 0.000 0.801 6.051) 6.104 3.270 ( 0.000 -3.884 1.700) 4.240 3.270 ( 0.000 3.884 1.700) 4.240 4.067 ( 0.000 -2.942 0.046) 2.943 4.067 ( 0.000 2.942 0.046) 2.943 4.169 ( 0.000 -0.842 -3.137) 3.248 4.169 ( 0.000 0.842 -3.137) 3.248 4.284 ( 0.000 -1.095 3.161) 3.345 4.284 ( 0.000 1.095 3.161) 3.345 4.397 ( 0.000 -4.408 0.908) 4.501 4.397 ( 0.000 4.408 0.908) 4.501 4.426 ( 0.000 -0.908 -2.335) 2.505 4.426 ( 0.000 0.908 -2.335) 2.505 4.557 ( 0.000 -0.455 -2.582) 2.622 4.557 ( 0.000 0.455 -2.582) 2.622 4.665 ( 0.000 -1.597 1.497) 2.189 4.665 ( 0.000 1.597 1.497) 2.189 4.712 ( 0.000 -2.645 1.216) 2.912 4.712 ( 0.000 2.645 1.216) 2.912 4.759 ( 0.000 -1.696 1.452) 2.233 4.759 ( 0.000 1.696 1.452) 2.233 4.801 ( 0.000 -2.474 1.241) 2.768 4.801 ( 0.000 2.474 1.241) 2.768 4.886 ( 0.000 -2.680 -0.895) 2.825 4.886 ( 0.000 2.680 -0.895) 2.825 5.129 ( 0.000 -2.223 -7.049) 7.391 5.129 ( 0.000 2.223 -7.049) 7.391 5.300 ( 0.000 -2.186 1.284) 2.535 5.300 ( 0.000 2.186 1.284) 2.535 5.435 ( 0.000 -1.699 -2.177) 2.762 5.435 ( 0.000 1.699 -2.177) 2.762 5.523 ( 0.000 -1.896 7.645) 7.877 5.523 ( 0.000 1.896 7.645) 7.877 5.609 ( 0.000 -1.123 1.923) 2.227 5.609 ( 0.000 1.123 1.923) 2.227 5.711 ( 0.000 -1.050 -0.106) 1.056 5.711 ( 0.000 1.050 -0.106) 1.056 5.756 ( 0.000 -0.518 1.128) 1.241 5.756 ( 0.000 0.518 1.128) 1.241 5.860 ( 0.000 -2.465 -1.812) 3.059 5.860 ( 0.000 2.465 -1.812) 3.059 5.914 ( 0.000 -1.384 -1.392) 1.963 5.914 ( 0.000 1.384 -1.392) 1.963 6.156 ( 0.000 -3.073 1.111) 3.268 6.156 ( 0.000 3.073 1.111) 3.268 6.372 ( 0.000 -0.546 -2.961) 3.011 6.372 ( 0.000 0.546 -2.961) 3.011 6.401 ( 0.000 -2.142 1.119) 2.417 6.401 ( 0.000 2.142 1.119) 2.417 6.575 ( 0.000 -1.234 3.802) 3.997 6.575 ( 0.000 1.234 3.802) 3.997 6.585 ( 0.000 -0.011 -2.417) 2.417 6.585 ( 0.000 0.011 -2.417) 2.417 6.651 ( 0.000 -0.080 -0.692) 0.697 6.651 ( 0.000 0.080 -0.692) 0.697 6.745 ( 0.000 -0.345 0.606) 0.697 6.745 ( 0.000 0.345 0.606) 0.697 6.896 ( 0.000 -1.156 6.951) 7.046 6.896 ( 0.000 1.156 6.951) 7.046 6.961 ( 0.000 -2.938 -3.891) 4.875 6.961 ( 0.000 2.938 -3.891) 4.875 7.072 ( 0.000 -2.508 0.158) 2.513 7.072 ( 0.000 2.508 0.158) 2.513 7.243 ( 0.000 -1.180 -2.255) 2.545 7.243 ( 0.000 1.180 -2.255) 2.545 7.273 ( 0.000 -3.019 -2.751) 4.085 7.273 ( 0.000 3.019 -2.751) 4.085 7.362 ( 0.000 -0.150 1.002) 1.013 7.362 ( 0.000 0.150 1.002) 1.013 7.421 ( 0.000 -0.035 0.684) 0.685 7.421 ( 0.000 0.035 0.684) 0.685 7.446 ( 0.000 -2.089 1.702) 2.695 7.446 ( 0.000 2.089 1.702) 2.695 7.532 ( 0.000 -3.483 4.809) 5.938 7.532 ( 0.000 3.483 4.809) 5.938 7.627 ( 0.000 -5.169 -2.051) 5.561 7.627 ( 0.000 5.169 -2.051) 5.561 7.739 ( 0.000 -7.498 0.153) 7.500 7.739 ( 0.000 7.498 0.153) 7.500 7.785 ( 0.000 -1.223 3.213) 3.438 7.785 ( 0.000 1.223 3.213) 3.438 7.860 ( 0.000 -2.796 -0.939) 2.949 7.860 ( 0.000 2.796 -0.939) 2.949 7.988 ( 0.000 -5.538 0.175) 5.541 7.988 ( 0.000 5.538 0.175) 5.541 8.116 ( 0.000 -5.075 3.805) 6.343 8.116 ( 0.000 5.075 3.805) 6.343 8.307 ( 0.000 -5.857 -0.188) 5.860 8.307 ( 0.000 5.857 -0.188) 5.860 8.323 ( 0.000 -4.153 -0.651) 4.204 8.323 ( 0.000 4.153 -0.651) 4.204 8.489 ( 0.000 -7.196 -4.494) 8.484 8.489 ( 0.000 7.196 -4.494) 8.484 8.618 ( 0.000 -5.806 -3.494) 6.777 8.618 ( 0.000 5.806 -3.494) 6.777 8.820 ( 0.000 -2.220 4.923) 5.400 8.820 ( 0.000 2.220 4.923) 5.400 9.170 ( 0.000 -5.885 -5.502) 8.056 9.170 ( 0.000 5.885 -5.502) 8.056 13.394 ( 0.000 -1.459 0.071) 1.461 13.394 ( 0.000 1.459 0.071) 1.461 13.493 ( 0.000 -1.346 0.147) 1.354 13.493 ( 0.000 1.346 0.147) 1.354 13.684 ( 0.000 -1.708 -1.057) 2.008 13.684 ( 0.000 1.708 -1.057) 2.008 13.725 ( 0.000 -7.194 1.074) 7.274 13.725 ( 0.000 7.194 1.074) 7.274 13.853 ( 0.000 -1.862 3.269) 3.763 13.853 ( 0.000 1.862 3.269) 3.763 13.944 ( 0.000 -1.626 2.038) 2.607 13.944 ( 0.000 1.626 2.038) 2.607 14.206 ( 0.000 -8.021 -4.055) 8.988 14.206 ( 0.000 8.021 -4.055) 8.988 14.313 ( 0.000 -6.202 -0.975) 6.278 14.313 ( 0.000 6.202 -0.975) 6.278 15.479 ( 0.000 -0.530 4.487) 4.518 15.479 ( 0.000 0.530 4.487) 4.518 15.549 ( 0.000 -2.161 2.609) 3.388 15.549 ( 0.000 2.161 2.609) 3.388 15.665 ( 0.000 -3.802 -1.333) 4.029 15.665 ( 0.000 3.802 -1.333) 4.029 15.958 ( 0.000 -3.848 -6.719) 7.743 15.958 ( 0.000 3.848 -6.719) 7.743 16.097 ( 0.000 -4.294 0.868) 4.381 16.097 ( 0.000 4.294 0.868) 4.381 16.147 ( 0.000 -3.627 0.227) 3.634 16.147 ( 0.000 3.627 0.227) 3.634 16.188 ( 0.000 -1.989 1.173) 2.309 16.188 ( 0.000 1.989 1.173) 2.309 16.274 ( 0.000 -0.090 -2.104) 2.106 16.274 ( 0.000 0.090 -2.104) 2.106 16.389 ( 0.000 -0.026 1.435) 1.435 16.389 ( 0.000 0.026 1.435) 1.435 16.416 ( 0.000 -0.224 0.837) 0.866 16.416 ( 0.000 0.224 0.837) 0.866 16.458 ( 0.000 -0.672 3.428) 3.493 16.458 ( 0.000 0.672 3.428) 3.493 16.616 ( 0.000 -1.256 -1.719) 2.129 16.616 ( 0.000 1.256 -1.719) 2.129 16.873 ( 0.000 -4.478 1.064) 4.603 16.873 ( 0.000 4.478 1.064) 4.603 16.903 ( 0.000 -4.478 0.100) 4.479 16.903 ( 0.000 4.478 0.100) 4.479 16.958 ( 0.000 -6.672 3.295) 7.441 16.958 ( 0.000 6.672 3.295) 7.441 17.370 ( 0.000 -0.413 -8.016) 8.027 17.370 ( 0.000 0.413 -8.016) 8.027 ======================= Grid point 51 (22/36) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 6.075 -0.000 3.980) 7.263 0.720 ( 9.041 0.000 6.675) 11.238 0.874 ( 18.793 -0.000 3.644) 19.143 0.906 ( 20.072 0.000 4.621) 20.597 1.067 ( 1.633 -0.000 -3.368) 3.743 1.082 ( 3.756 0.000 -3.073) 4.853 1.139 ( 1.079 -0.000 1.039) 1.497 1.184 ( 1.062 0.000 1.124) 1.546 1.252 ( 6.312 -0.000 -7.041) 9.456 1.264 ( 10.617 0.000 -5.644) 12.024 1.397 ( -2.436 0.000 0.548) 2.497 1.409 ( -0.185 -0.000 0.025) 0.187 1.418 ( 1.805 0.000 -1.693) 2.475 1.442 ( 2.020 0.000 -3.245) 3.822 1.451 ( 0.973 0.000 -1.975) 2.202 1.502 ( 4.229 0.000 -0.547) 4.264 1.508 ( 2.649 -0.000 1.261) 2.934 1.522 ( 1.988 0.000 1.082) 2.263 1.586 ( -0.146 0.000 -0.859) 0.872 1.606 ( 2.228 0.000 5.263) 5.715 1.629 ( -1.736 -0.000 0.059) 1.737 1.632 ( 0.094 0.000 0.720) 0.726 1.655 ( 4.347 0.000 0.895) 4.438 1.693 ( 1.377 0.000 1.221) 1.840 1.728 ( 1.784 0.000 1.008) 2.049 1.746 ( 2.144 -0.000 0.393) 2.180 1.759 ( 1.136 0.000 3.647) 3.820 1.765 ( 0.861 0.000 4.300) 4.385 1.838 ( -0.535 0.000 4.175) 4.209 1.870 ( -1.461 0.000 1.985) 2.464 1.959 ( 1.445 0.000 0.984) 1.748 1.994 ( 0.977 0.000 1.472) 1.766 2.011 ( 0.862 0.000 2.777) 2.907 2.049 ( 0.287 0.000 -0.550) 0.621 2.060 ( 2.037 0.000 0.277) 2.056 2.075 ( -0.476 0.000 -2.479) 2.524 2.124 ( -2.370 0.000 -3.840) 4.512 2.147 ( 2.661 0.000 -2.216) 3.463 2.172 ( -1.396 -0.000 -1.982) 2.424 2.200 ( 3.371 0.000 -5.897) 6.793 2.210 ( 2.067 0.000 -0.829) 2.227 2.245 ( -0.604 0.000 -4.165) 4.208 2.254 ( -1.480 0.000 0.123) 1.485 2.278 ( 0.394 -0.000 -0.365) 0.537 2.330 ( -2.938 0.000 0.018) 2.938 2.367 ( -1.810 0.000 2.480) 3.071 2.370 ( 1.272 0.000 -1.823) 2.223 2.404 ( -0.372 0.000 -2.009) 2.044 2.449 ( -1.979 0.000 0.026) 1.979 2.486 ( 0.226 0.000 -1.459) 1.476 2.513 ( -1.080 0.000 0.995) 1.468 2.519 ( 1.165 0.000 -3.814) 3.988 2.523 ( -2.350 -0.000 3.708) 4.390 2.569 ( 1.284 0.000 -1.218) 1.769 2.592 ( -2.327 0.000 -2.106) 3.138 2.620 ( -1.160 0.000 -2.644) 2.887 2.668 ( 0.213 0.000 -1.199) 1.217 2.709 ( 0.466 0.000 0.596) 0.757 2.747 ( -2.334 0.000 1.869) 2.991 2.762 ( -1.293 -0.000 -0.435) 1.364 2.790 ( 0.617 0.000 -1.333) 1.468 2.817 ( 1.454 0.000 3.727) 4.001 2.887 ( 1.846 0.000 -2.499) 3.107 2.951 ( 2.574 0.000 -0.045) 2.575 3.039 ( -3.426 0.000 0.250) 3.435 3.041 ( -1.567 -0.000 2.592) 3.029 3.082 ( -2.261 0.000 -5.945) 6.360 3.109 ( -1.716 0.000 3.389) 3.799 3.112 ( -1.258 0.000 3.479) 3.700 3.145 ( 1.530 0.000 -1.730) 2.309 3.256 ( -0.631 0.000 1.602) 1.722 3.277 ( -0.912 0.000 1.141) 1.461 4.090 ( 2.765 -0.000 -0.658) 2.842 4.121 ( 3.888 0.000 0.784) 3.966 4.161 ( 1.024 0.000 -2.297) 2.515 4.232 ( 3.279 0.000 -1.508) 3.610 4.264 ( 0.035 0.000 1.681) 1.682 4.345 ( 3.809 0.000 2.704) 4.671 4.388 ( 0.093 0.000 -0.769) 0.774 4.440 ( 2.065 0.000 -1.831) 2.760 4.441 ( 2.862 -0.000 1.668) 3.313 4.451 ( 1.531 -0.000 -1.964) 2.490 4.506 ( -1.843 0.000 -0.936) 2.067 4.575 ( -3.466 0.000 3.316) 4.797 4.583 ( -0.943 0.000 -1.394) 1.683 4.672 ( -1.214 0.000 0.393) 1.276 4.693 ( 0.969 0.000 0.593) 1.136 4.707 ( 0.527 0.000 1.169) 1.282 4.758 ( 1.277 0.000 -2.660) 2.951 4.819 ( 2.288 0.000 1.018) 2.505 4.848 ( 2.880 -0.000 2.228) 3.641 4.853 ( 2.827 0.000 1.710) 3.304 4.906 ( 3.220 0.000 -1.910) 3.744 4.946 ( 4.024 0.000 -1.474) 4.285 5.059 ( -2.238 0.000 -6.965) 7.316 5.160 ( 0.087 0.000 -3.819) 3.820 5.319 ( 0.930 0.000 1.485) 1.753 5.319 ( 1.456 0.000 1.508) 2.096 5.435 ( 0.682 0.000 -1.254) 1.427 5.457 ( 1.843 0.000 0.323) 1.871 5.499 ( -0.056 0.000 5.251) 5.251 5.551 ( 0.531 0.000 6.542) 6.564 5.584 ( 0.014 0.000 0.769) 0.769 5.633 ( 0.245 0.000 1.769) 1.786 5.687 ( -0.738 0.000 -0.576) 0.936 5.716 ( -1.710 0.000 -2.450) 2.987 5.755 ( 2.193 0.000 0.837) 2.347 5.797 ( -1.959 0.000 -0.754) 2.099 5.879 ( 1.322 0.000 -1.621) 2.092 5.931 ( 2.278 0.000 -2.692) 3.527 5.956 ( 6.536 0.000 0.404) 6.549 5.967 ( 4.106 0.000 -0.139) 4.108 6.126 ( -1.098 0.000 -0.188) 1.114 6.175 ( 0.524 0.000 2.226) 2.287 6.309 ( -3.079 0.000 -4.341) 5.323 6.387 ( 1.187 0.000 0.091) 1.191 6.411 ( 0.471 0.000 2.292) 2.340 6.428 ( -0.509 0.000 1.153) 1.260 6.504 ( -3.005 0.000 -5.562) 6.321 6.560 ( 1.867 0.000 2.169) 2.862 6.614 ( 0.850 0.000 -1.034) 1.339 6.666 ( 0.563 0.000 -0.503) 0.754 6.673 ( 1.563 -0.000 0.438) 1.623 6.676 ( 3.350 0.000 1.114) 3.530 6.743 ( 0.890 0.000 -1.359) 1.624 6.801 ( 4.360 0.000 1.205) 4.523 6.907 ( 3.421 0.000 8.486) 9.150 6.938 ( -0.715 0.000 -5.649) 5.695 6.955 ( 4.179 0.000 5.625) 7.007 7.023 ( 3.922 0.000 -4.744) 6.156 7.089 ( 2.166 0.000 -1.296) 2.524 7.102 ( 2.519 0.000 0.198) 2.527 7.165 ( -2.354 0.000 -0.119) 2.357 7.212 ( -2.289 0.000 -2.009) 3.045 7.263 ( 0.699 0.000 -0.616) 0.932 7.301 ( -4.644 0.000 1.301) 4.823 7.330 ( 1.763 0.000 -1.312) 2.197 7.379 ( -0.051 0.000 -0.035) 0.062 7.392 ( -3.346 0.000 3.015) 4.504 7.435 ( 3.565 0.000 1.758) 3.975 7.453 ( -0.011 0.000 0.264) 0.264 7.477 ( 1.960 0.000 0.989) 2.195 7.527 ( -1.117 -0.000 -1.373) 1.770 7.529 ( -1.869 0.000 2.791) 3.359 7.592 ( -1.433 0.000 3.065) 3.383 7.619 ( -1.175 0.000 -3.666) 3.850 7.704 ( -2.901 0.000 -0.272) 2.914 7.710 ( -2.599 0.000 1.548) 3.025 7.764 ( -0.364 0.000 3.205) 3.226 7.778 ( -1.409 0.000 3.604) 3.869 7.857 ( 0.174 0.000 -0.991) 1.006 7.878 ( 0.119 0.000 -0.801) 0.809 7.949 ( -3.906 0.000 2.006) 4.392 7.959 ( -2.997 -0.000 0.248) 3.008 8.043 ( -6.586 0.000 4.192) 7.807 8.069 ( -4.489 -0.000 3.945) 5.976 8.286 ( -1.111 0.000 -1.181) 1.621 8.302 ( -0.345 0.000 0.094) 0.358 8.361 ( 2.833 0.000 -0.232) 2.843 8.366 ( 3.371 0.000 -2.049) 3.945 8.471 ( -1.506 -0.000 -5.187) 5.401 8.483 ( -0.685 0.000 -4.005) 4.063 8.582 ( -3.090 -0.000 -3.319) 4.535 8.585 ( -2.726 0.000 -3.311) 4.289 8.762 ( -4.785 -0.000 5.398) 7.214 8.768 ( -4.850 0.000 5.579) 7.393 9.102 ( -5.767 -0.000 -4.429) 7.271 9.103 ( -5.696 0.000 -4.450) 7.228 13.405 ( 1.267 0.000 -0.228) 1.288 13.410 ( 1.480 -0.000 0.282) 1.507 13.496 ( 0.506 0.000 0.399) 0.644 13.499 ( 0.458 0.000 0.455) 0.645 13.654 ( -2.444 0.000 -1.352) 2.793 13.659 ( -2.142 -0.000 -0.700) 2.254 13.705 ( -3.322 0.000 0.142) 3.325 13.719 ( -0.303 -0.000 0.247) 0.391 13.850 ( -0.560 0.000 3.237) 3.285 13.862 ( 2.953 0.000 2.751) 4.036 13.918 ( -1.384 0.000 1.891) 2.344 13.941 ( -0.680 0.000 3.170) 3.242 14.160 ( -3.646 -0.000 -2.344) 4.335 14.184 ( -2.736 0.000 -4.856) 5.574 14.234 ( -5.334 -0.000 -0.763) 5.388 14.304 ( -2.690 0.000 -0.964) 2.858 15.462 ( -1.239 0.000 4.295) 4.470 15.475 ( -0.464 0.000 2.423) 2.467 15.538 ( -0.518 0.000 1.731) 1.806 15.538 ( -1.208 -0.000 2.936) 3.175 15.655 ( -0.954 -0.000 -0.325) 1.008 15.663 ( -0.109 0.000 -1.165) 1.170 15.826 ( -7.023 0.000 -5.302) 8.800 15.914 ( -5.396 0.000 -1.774) 5.681 16.056 ( -2.699 -0.000 0.143) 2.702 16.069 ( -4.037 0.000 -0.080) 4.038 16.082 ( -1.284 0.000 -1.525) 1.994 16.107 ( -4.230 0.000 -1.141) 4.381 16.153 ( -4.059 -0.000 1.032) 4.188 16.156 ( -4.813 0.000 2.407) 5.382 16.180 ( -0.800 -0.000 -0.895) 1.200 16.254 ( -4.793 0.000 1.224) 4.947 16.404 ( 5.616 0.000 -1.223) 5.748 16.476 ( 4.112 0.000 1.882) 4.523 16.481 ( 6.904 -0.000 -2.192) 7.243 16.531 ( 5.244 0.000 1.026) 5.343 16.534 ( 6.096 0.000 0.774) 6.145 16.570 ( 5.101 0.000 1.868) 5.432 16.634 ( 1.920 0.000 -1.580) 2.487 16.657 ( 2.461 0.000 -0.514) 2.514 16.902 ( 3.227 -0.000 1.070) 3.400 16.927 ( 2.603 0.000 0.458) 2.643 16.938 ( 5.465 0.000 0.533) 5.491 16.947 ( 3.358 0.000 -0.326) 3.374 16.976 ( 1.839 0.000 3.137) 3.637 16.992 ( 3.471 0.000 3.758) 5.116 17.360 ( -0.640 0.000 -7.158) 7.187 17.381 ( -0.166 0.000 -6.483) 6.485 ======================= Grid point 53 (23/36) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 10.444 -0.000 1.638) 10.572 0.928 ( 10.399 0.000 6.394) 12.208 1.091 ( 2.646 -0.000 -0.247) 2.657 1.115 ( 3.366 0.000 -3.011) 4.516 1.137 ( -0.046 0.000 1.373) 1.374 1.175 ( 3.874 0.000 -1.745) 4.248 1.251 ( 1.324 0.000 -0.713) 1.504 1.281 ( -2.768 0.000 -0.701) 2.856 1.304 ( 2.875 -0.000 0.028) 2.875 1.305 ( 9.697 0.000 2.451) 10.002 1.369 ( -1.062 0.000 -1.099) 1.528 1.409 ( -5.785 0.000 4.283) 7.197 1.461 ( -0.201 -0.000 0.027) 0.203 1.475 ( 2.367 0.000 -3.460) 4.192 1.520 ( 1.044 0.000 1.763) 2.049 1.526 ( 3.514 0.000 -5.284) 6.346 1.550 ( 1.253 -0.000 -0.807) 1.491 1.571 ( 1.221 0.000 -4.909) 5.059 1.611 ( 1.219 -0.000 0.528) 1.329 1.637 ( 3.102 0.000 -6.214) 6.945 1.673 ( 8.065 -0.000 3.034) 8.617 1.684 ( 4.356 0.000 4.173) 6.033 1.713 ( 2.004 0.000 1.878) 2.747 1.728 ( 1.252 0.000 2.281) 2.602 1.754 ( -0.570 0.000 3.009) 3.062 1.781 ( 0.982 0.000 1.306) 1.634 1.784 ( -0.728 0.000 0.883) 1.145 1.796 ( 2.376 0.000 2.760) 3.642 1.837 ( -0.111 -0.000 3.069) 3.071 1.844 ( 3.100 0.000 3.752) 4.867 1.956 ( -0.858 0.000 -0.807) 1.178 1.977 ( -2.153 0.000 -5.710) 6.102 2.030 ( 1.026 0.000 -0.690) 1.236 2.033 ( -1.794 -0.000 3.518) 3.949 2.060 ( -0.351 0.000 -3.128) 3.148 2.094 ( -0.259 0.000 -1.807) 1.826 2.142 ( 3.631 0.000 2.226) 4.259 2.149 ( -1.287 -0.000 -0.898) 1.569 2.177 ( 1.720 0.000 2.220) 2.809 2.217 ( -1.350 0.000 -1.927) 2.352 2.233 ( 1.146 -0.000 0.626) 1.305 2.261 ( 0.446 0.000 -0.042) 0.448 2.294 ( 2.479 0.000 -5.597) 6.122 2.330 ( 1.930 0.000 2.027) 2.799 2.343 ( 4.003 0.000 2.780) 4.873 2.358 ( 1.939 0.000 -4.876) 5.248 2.382 ( -1.789 0.000 0.711) 1.925 2.391 ( -0.994 0.000 -0.311) 1.042 2.454 ( 3.848 0.000 2.531) 4.605 2.468 ( -0.543 0.000 2.664) 2.719 2.505 ( 0.986 -0.000 -1.661) 1.931 2.523 ( 2.942 0.000 -0.857) 3.065 2.540 ( -0.437 -0.000 -4.602) 4.622 2.581 ( 2.320 0.000 -4.649) 5.196 2.595 ( 1.081 0.000 1.713) 2.025 2.609 ( 0.034 0.000 -2.230) 2.230 2.661 ( -3.329 0.000 -1.346) 3.591 2.678 ( -0.169 0.000 -4.690) 4.693 2.706 ( -1.818 0.000 1.548) 2.388 2.733 ( -1.838 0.000 1.086) 2.135 2.855 ( 1.087 0.000 -3.562) 3.724 2.875 ( 1.542 -0.000 -0.876) 1.773 2.882 ( 0.727 0.000 -1.585) 1.744 2.917 ( -0.856 0.000 3.037) 3.156 2.989 ( -1.153 0.000 3.187) 3.389 3.019 ( -3.124 0.000 -4.348) 5.354 3.046 ( -2.615 0.000 -0.471) 2.657 3.086 ( -0.905 0.000 -0.243) 0.937 3.096 ( 2.930 0.000 3.306) 4.417 3.180 ( 1.327 0.000 0.673) 1.488 3.220 ( -3.236 0.000 2.596) 4.149 3.236 ( -2.701 0.000 0.740) 2.800 4.140 ( 1.349 0.000 -0.218) 1.367 4.190 ( 1.002 0.000 1.492) 1.797 4.219 ( 4.611 0.000 -1.571) 4.872 4.245 ( 1.167 0.000 1.754) 2.107 4.315 ( 2.470 0.000 -2.691) 3.653 4.403 ( -1.987 -0.000 2.107) 2.896 4.411 ( 3.233 -0.000 1.761) 3.681 4.424 ( 0.295 0.000 2.495) 2.513 4.448 ( -1.201 0.000 -1.786) 2.152 4.505 ( 1.524 0.000 1.056) 1.854 4.548 ( 4.291 0.000 -0.696) 4.347 4.569 ( 2.476 0.000 -0.336) 2.499 4.592 ( 2.098 0.000 0.385) 2.133 4.657 ( -0.213 0.000 0.579) 0.617 4.719 ( 1.608 0.000 -2.242) 2.759 4.737 ( 2.531 0.000 -0.928) 2.696 4.787 ( 0.507 0.000 -3.731) 3.765 4.872 ( 0.537 0.000 2.926) 2.975 4.879 ( 1.102 -0.000 -0.334) 1.152 4.893 ( 1.420 0.000 0.890) 1.676 4.970 ( 2.560 0.000 -2.868) 3.844 4.987 ( 1.077 0.000 -5.470) 5.575 5.071 ( 1.186 0.000 -2.288) 2.577 5.149 ( -1.515 0.000 -2.643) 3.046 5.342 ( 1.728 0.000 3.786) 4.162 5.348 ( 3.664 0.000 3.918) 5.364 5.476 ( 2.301 0.000 3.603) 4.275 5.482 ( -0.920 0.000 5.670) 5.744 5.538 ( 4.670 0.000 -0.031) 4.670 5.580 ( 3.254 0.000 1.907) 3.772 5.630 ( 2.575 0.000 -0.555) 2.634 5.631 ( 0.318 0.000 0.340) 0.465 5.650 ( -2.101 0.000 -1.750) 2.735 5.674 ( -1.202 0.000 -1.067) 1.607 5.748 ( -1.955 -0.000 0.184) 1.964 5.774 ( -0.212 0.000 0.793) 0.821 5.894 ( -0.472 0.000 -3.772) 3.802 5.928 ( -3.512 0.000 -3.407) 4.893 5.949 ( -6.188 -0.000 -0.853) 6.247 6.025 ( -0.259 0.000 0.355) 0.440 6.149 ( 3.740 -0.000 -0.399) 3.761 6.221 ( 3.742 0.000 2.668) 4.596 6.269 ( -0.430 0.000 -3.366) 3.393 6.366 ( -4.006 -0.000 0.899) 4.106 6.384 ( -2.893 0.000 2.660) 3.930 6.396 ( -2.008 0.000 2.269) 3.030 6.488 ( 1.403 0.000 -5.510) 5.686 6.611 ( -2.413 0.000 -2.978) 3.833 6.619 ( 2.686 0.000 0.077) 2.687 6.648 ( -0.221 0.000 2.534) 2.543 6.714 ( 2.776 0.000 0.220) 2.785 6.746 ( 2.950 0.000 1.600) 3.356 6.785 ( 2.824 0.000 -1.852) 3.378 6.842 ( 0.517 0.000 0.312) 0.604 6.924 ( -0.381 0.000 -6.789) 6.799 6.990 ( -2.887 0.000 -3.764) 4.744 7.066 ( 6.301 0.000 1.305) 6.434 7.072 ( 8.316 0.000 2.568) 8.703 7.128 ( 0.474 0.000 -1.733) 1.797 7.182 ( 2.810 0.000 1.747) 3.309 7.187 ( -1.146 0.000 1.282) 1.720 7.216 ( 3.251 0.000 2.694) 4.222 7.252 ( 2.173 -0.000 3.072) 3.763 7.302 ( -4.518 0.000 2.368) 5.101 7.338 ( 6.851 -0.000 0.616) 6.878 7.374 ( 5.113 0.000 1.096) 5.229 7.392 ( -0.118 0.000 -1.952) 1.956 7.423 ( -4.970 0.000 -2.153) 5.416 7.437 ( -0.757 0.000 -0.325) 0.824 7.480 ( -1.271 0.000 -2.358) 2.679 7.493 ( -0.224 -0.000 -0.026) 0.226 7.542 ( 3.772 0.000 3.668) 5.261 7.572 ( -1.679 0.000 -0.703) 1.820 7.609 ( 1.848 0.000 2.709) 3.279 7.634 ( -3.571 0.000 0.166) 3.575 7.680 ( -1.222 0.000 0.685) 1.401 7.746 ( -2.178 0.000 2.654) 3.433 7.772 ( -0.335 0.000 1.594) 1.629 7.801 ( -7.685 0.000 5.709) 9.574 7.807 ( -10.006 -0.000 4.035) 10.789 7.852 ( -1.435 -0.000 -0.714) 1.603 7.859 ( -3.345 0.000 1.338) 3.603 7.937 ( -3.015 0.000 1.313) 3.288 7.971 ( -4.282 0.000 2.492) 4.955 8.271 ( -0.231 0.000 -2.203) 2.215 8.293 ( -0.671 0.000 -0.343) 0.754 8.403 ( -1.427 0.000 -6.141) 6.304 8.410 ( -1.643 0.000 -4.255) 4.561 8.433 ( 1.161 -0.000 -2.490) 2.748 8.479 ( 0.753 0.000 -1.405) 1.594 8.537 ( 0.236 0.000 -1.803) 1.818 8.551 ( 0.184 -0.000 -1.788) 1.797 8.660 ( -4.733 -0.000 5.999) 7.641 8.663 ( -4.189 0.000 5.491) 6.906 8.976 ( -5.704 -0.000 -3.431) 6.657 8.978 ( -5.694 0.000 -3.418) 6.641 13.444 ( 2.441 0.000 -0.258) 2.454 13.451 ( 2.336 0.000 0.401) 2.370 13.508 ( 0.314 0.000 1.248) 1.287 13.516 ( 1.431 0.000 1.453) 2.040 13.590 ( -3.379 0.000 -1.725) 3.794 13.615 ( -1.916 0.000 -1.291) 2.310 13.642 ( -2.171 0.000 -0.567) 2.244 13.679 ( -3.511 0.000 1.386) 3.775 13.867 ( 2.324 0.000 0.445) 2.367 13.915 ( 1.482 0.000 0.357) 1.524 13.923 ( -0.375 0.000 2.233) 2.265 13.955 ( 5.068 0.000 2.353) 5.588 14.078 ( -3.803 -0.000 -0.379) 3.822 14.093 ( -5.901 0.000 -2.292) 6.330 14.129 ( -4.186 0.000 -2.282) 4.768 14.217 ( -5.451 0.000 -0.439) 5.469 15.444 ( -0.348 0.000 1.882) 1.914 15.464 ( -0.709 0.000 0.569) 0.909 15.515 ( -0.727 0.000 2.546) 2.648 15.527 ( -0.637 0.000 2.077) 2.173 15.635 ( -0.663 0.000 -0.288) 0.723 15.662 ( -0.244 0.000 -0.577) 0.626 15.718 ( -3.028 0.000 -3.403) 4.555 15.802 ( -5.008 0.000 -0.021) 5.008 16.016 ( -1.271 -0.000 0.082) 1.274 16.019 ( -0.892 0.000 0.043) 0.894 16.039 ( -1.706 -0.000 -0.349) 1.741 16.052 ( -2.588 0.000 0.552) 2.647 16.078 ( -1.000 0.000 0.067) 1.002 16.088 ( -2.081 0.000 0.636) 2.176 16.152 ( -1.884 -0.000 -1.450) 2.378 16.168 ( -3.759 0.000 -1.094) 3.915 16.502 ( 3.655 0.000 -0.118) 3.657 16.540 ( 1.798 0.000 1.324) 2.233 16.597 ( 3.792 -0.000 -2.309) 4.440 16.615 ( 2.934 0.000 0.654) 3.006 16.623 ( 2.509 0.000 -0.848) 2.648 16.635 ( 1.589 0.000 1.213) 1.999 16.672 ( 1.582 0.000 -0.663) 1.715 16.694 ( 1.008 0.000 0.231) 1.034 16.979 ( 3.624 -0.000 1.675) 3.992 16.990 ( 3.017 0.000 0.778) 3.116 17.014 ( 2.701 -0.000 1.865) 3.282 17.017 ( 2.045 0.000 3.705) 4.232 17.081 ( 7.664 0.000 -1.038) 7.734 17.098 ( 6.307 0.000 0.409) 6.321 17.325 ( -3.030 -0.000 -4.792) 5.670 17.344 ( -3.555 0.000 -4.065) 5.400 ======================= Grid point 55 (24/36) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -8.607 0.000 -1.082) 8.675 1.017 ( 8.607 0.000 -1.082) 8.675 1.103 ( -2.222 0.000 3.386) 4.050 1.103 ( 2.222 -0.000 3.386) 4.050 1.162 ( -0.754 0.000 -0.547) 0.931 1.162 ( 0.754 0.000 -0.547) 0.931 1.261 ( -4.030 0.000 3.969) 5.656 1.261 ( 4.030 0.000 3.969) 5.656 1.315 ( -4.216 0.000 -0.357) 4.231 1.315 ( 4.216 0.000 -0.357) 4.231 1.412 ( -3.933 -0.000 -0.868) 4.028 1.412 ( 3.933 -0.000 -0.868) 4.028 1.425 ( -2.702 0.000 1.895) 3.301 1.425 ( 2.702 0.000 1.895) 3.301 1.560 ( -0.758 -0.000 -2.955) 3.050 1.560 ( 0.758 0.000 -2.955) 3.050 1.602 ( -1.754 0.000 -2.957) 3.438 1.602 ( 1.754 -0.000 -2.957) 3.438 1.618 ( -2.628 0.000 -1.616) 3.085 1.618 ( 2.628 0.000 -1.616) 3.085 1.731 ( -0.662 0.000 2.283) 2.377 1.731 ( 0.662 0.000 2.283) 2.377 1.745 ( -0.887 0.000 -2.284) 2.450 1.745 ( 0.887 0.000 -2.284) 2.450 1.765 ( -0.948 0.000 1.038) 1.406 1.765 ( 0.948 0.000 1.038) 1.406 1.824 ( -0.439 0.000 2.574) 2.611 1.824 ( 0.439 0.000 2.574) 2.611 1.884 ( -7.968 -0.000 1.959) 8.205 1.884 ( 7.968 0.000 1.959) 8.205 1.945 ( -0.463 0.000 -2.696) 2.735 1.945 ( 0.463 0.000 -2.696) 2.735 2.056 ( -6.622 0.000 5.070) 8.340 2.056 ( 6.622 0.000 5.070) 8.340 2.064 ( -0.399 0.000 -2.207) 2.242 2.064 ( 0.399 0.000 -2.207) 2.242 2.148 ( -0.473 0.000 -2.194) 2.244 2.148 ( 0.473 0.000 -2.194) 2.244 2.172 ( -0.341 -0.000 1.315) 1.358 2.172 ( 0.341 0.000 1.315) 1.358 2.283 ( -2.885 -0.000 0.304) 2.901 2.283 ( 2.886 -0.000 0.304) 2.902 2.323 ( -1.307 0.000 -0.997) 1.644 2.323 ( 1.307 0.000 -0.997) 1.644 2.360 ( -1.048 0.000 1.121) 1.534 2.360 ( 1.048 0.000 1.121) 1.534 2.398 ( -1.359 0.000 0.893) 1.626 2.398 ( 1.359 -0.000 0.893) 1.626 2.492 ( -1.884 0.000 -4.639) 5.007 2.492 ( 1.884 0.000 -4.639) 5.007 2.541 ( -1.664 0.000 1.308) 2.116 2.541 ( 1.664 0.000 1.308) 2.116 2.558 ( -3.429 0.000 1.406) 3.706 2.558 ( 3.429 -0.000 1.406) 3.706 2.631 ( -0.976 0.000 -1.869) 2.108 2.631 ( 0.976 0.000 -1.869) 2.108 2.657 ( -0.113 0.000 -3.989) 3.990 2.657 ( 0.113 0.000 -3.989) 3.990 2.694 ( -2.849 0.000 -0.744) 2.944 2.694 ( 2.849 0.000 -0.744) 2.944 2.818 ( -0.754 0.000 -1.493) 1.672 2.818 ( 0.754 0.000 -1.493) 1.672 2.957 ( -1.299 0.000 2.763) 3.054 2.957 ( 1.299 -0.000 2.763) 3.054 2.963 ( -3.019 0.000 -3.467) 4.597 2.963 ( 3.019 0.000 -3.467) 4.597 3.068 ( -2.715 0.000 -1.515) 3.109 3.068 ( 2.715 0.000 -1.515) 3.109 3.140 ( -2.700 0.000 3.566) 4.473 3.140 ( 2.700 0.000 3.566) 4.473 3.197 ( -0.799 0.000 1.139) 1.391 3.197 ( 0.799 0.000 1.139) 1.391 4.166 ( -1.635 0.000 1.355) 2.124 4.166 ( 1.635 0.000 1.355) 2.124 4.289 ( -0.082 0.000 -1.840) 1.842 4.289 ( 0.082 -0.000 -1.840) 1.842 4.338 ( -1.272 0.000 1.682) 2.109 4.338 ( 1.272 0.000 1.682) 2.109 4.429 ( -0.392 0.000 0.421) 0.575 4.429 ( 0.392 0.000 0.421) 0.575 4.503 ( -2.860 0.000 1.033) 3.041 4.503 ( 2.860 0.000 1.033) 3.041 4.588 ( -0.006 0.000 -0.155) 0.155 4.588 ( 0.006 0.000 -0.155) 0.155 4.651 ( -1.540 0.000 1.207) 1.956 4.651 ( 1.540 0.000 1.207) 1.956 4.758 ( -1.765 0.000 -4.768) 5.085 4.758 ( 1.765 0.000 -4.768) 5.085 4.812 ( -3.898 0.000 0.253) 3.906 4.812 ( 3.898 -0.000 0.253) 3.906 4.899 ( -0.463 0.000 0.990) 1.093 4.899 ( 0.463 0.000 0.990) 1.093 5.029 ( -2.284 0.000 -3.852) 4.478 5.029 ( 2.284 0.000 -3.852) 4.478 5.077 ( -4.441 0.000 -3.970) 5.957 5.077 ( 4.441 0.000 -3.970) 5.957 5.408 ( -3.458 0.000 5.415) 6.425 5.408 ( 3.458 0.000 5.415) 6.425 5.473 ( -3.386 0.000 6.740) 7.542 5.473 ( 3.386 0.000 6.740) 7.542 5.612 ( -1.390 -0.000 0.804) 1.606 5.612 ( 1.390 0.000 0.804) 1.606 5.641 ( -0.268 0.000 -1.025) 1.059 5.641 ( 0.268 -0.000 -1.025) 1.059 5.679 ( -1.801 0.000 -0.161) 1.808 5.679 ( 1.801 0.000 -0.161) 1.808 5.735 ( -1.965 0.000 0.739) 2.100 5.735 ( 1.965 0.000 0.739) 2.100 5.846 ( -0.264 0.000 -4.268) 4.276 5.846 ( 0.264 0.000 -4.268) 4.276 5.946 ( -5.402 0.000 -3.379) 6.371 5.946 ( 5.402 0.000 -3.379) 6.371 6.244 ( -4.153 -0.000 1.326) 4.360 6.244 ( 4.153 -0.000 1.326) 4.360 6.288 ( -1.628 0.000 -1.060) 1.943 6.288 ( 1.628 0.000 -1.060) 1.943 6.351 ( -1.059 0.000 2.026) 2.286 6.351 ( 1.059 0.000 2.026) 2.286 6.540 ( -3.504 0.000 -1.984) 4.027 6.540 ( 3.504 0.000 -1.984) 4.027 6.650 ( -0.455 0.000 0.908) 1.016 6.650 ( 0.455 0.000 0.908) 1.016 6.766 ( -1.229 0.000 0.217) 1.248 6.766 ( 1.229 0.000 0.217) 1.248 6.837 ( -1.602 0.000 -1.104) 1.946 6.837 ( 1.602 0.000 -1.104) 1.946 6.935 ( -1.753 0.000 -6.090) 6.337 6.935 ( 1.753 0.000 -6.090) 6.337 7.131 ( -0.640 -0.000 1.274) 1.426 7.131 ( 0.640 0.000 1.274) 1.426 7.171 ( -0.657 0.000 -0.752) 0.999 7.171 ( 0.657 0.000 -0.752) 0.999 7.231 ( -1.390 0.000 3.266) 3.550 7.231 ( 1.390 0.000 3.266) 3.550 7.287 ( -0.118 0.000 1.508) 1.513 7.287 ( 0.118 0.000 1.508) 1.513 7.349 ( -1.602 0.000 0.036) 1.602 7.349 ( 1.602 0.000 0.036) 1.602 7.451 ( -0.957 0.000 2.012) 2.228 7.451 ( 0.957 0.000 2.012) 2.228 7.477 ( -1.785 -0.000 -0.347) 1.818 7.477 ( 1.785 0.000 -0.347) 1.818 7.557 ( -4.960 0.000 0.108) 4.961 7.557 ( 4.960 0.000 0.108) 4.961 7.584 ( -2.068 0.000 3.475) 4.044 7.584 ( 2.068 0.000 3.475) 4.044 7.612 ( -0.573 0.000 1.908) 1.992 7.612 ( 0.573 0.000 1.908) 1.992 7.655 ( -0.740 0.000 1.873) 2.013 7.655 ( 0.740 0.000 1.873) 2.013 7.755 ( -3.126 0.000 -1.021) 3.288 7.755 ( 3.126 0.000 -1.021) 3.288 7.835 ( -1.045 -0.000 3.688) 3.833 7.835 ( 1.045 0.000 3.688) 3.833 7.908 ( -1.113 0.000 0.940) 1.457 7.908 ( 1.113 -0.000 0.940) 1.457 8.277 ( -0.730 -0.000 -1.811) 1.953 8.277 ( 0.730 0.000 -1.811) 1.953 8.371 ( -0.004 0.000 -6.311) 6.311 8.371 ( 0.004 0.000 -6.311) 6.311 8.474 ( -1.414 0.000 -0.803) 1.626 8.474 ( 1.414 0.000 -0.803) 1.626 8.563 ( -0.312 0.000 -0.354) 0.472 8.563 ( 0.312 0.000 -0.354) 0.472 8.612 ( -0.410 0.000 4.676) 4.694 8.612 ( 0.410 -0.000 4.676) 4.694 8.909 ( -0.076 0.000 -3.177) 3.177 8.909 ( 0.076 0.000 -3.177) 3.177 13.487 ( -0.025 0.000 0.267) 0.268 13.487 ( 0.025 0.000 0.267) 0.268 13.513 ( -1.503 0.000 1.522) 2.139 13.513 ( 1.503 0.000 1.522) 2.139 13.579 ( -2.367 0.000 -0.830) 2.509 13.579 ( 2.367 0.000 -0.830) 2.509 13.621 ( -0.618 0.000 -0.297) 0.686 13.621 ( 0.618 0.000 -0.297) 0.686 13.911 ( -1.179 0.000 0.755) 1.400 13.911 ( 1.179 0.000 0.755) 1.400 13.980 ( -4.666 0.000 -1.961) 5.061 13.980 ( 4.666 0.000 -1.961) 5.061 14.034 ( -0.836 -0.000 0.556) 1.004 14.034 ( 0.836 0.000 0.556) 1.004 14.105 ( -4.145 0.000 0.030) 4.145 14.105 ( 4.145 0.000 0.030) 4.145 15.448 ( -0.661 0.000 0.384) 0.765 15.448 ( 0.661 0.000 0.384) 0.765 15.514 ( -0.495 0.000 2.233) 2.287 15.514 ( 0.495 0.000 2.233) 2.287 15.639 ( -1.137 0.000 -1.372) 1.782 15.639 ( 1.137 0.000 -1.372) 1.782 15.723 ( -2.625 0.000 -0.153) 2.629 15.723 ( 2.625 0.000 -0.153) 2.629 16.009 ( -0.669 -0.000 0.604) 0.902 16.009 ( 0.669 -0.000 0.604) 0.902 16.022 ( -0.445 0.000 0.463) 0.642 16.022 ( 0.445 0.000 0.463) 0.642 16.076 ( -0.341 0.000 -0.378) 0.509 16.076 ( 0.341 0.000 -0.378) 0.509 16.122 ( -0.124 0.000 -1.733) 1.737 16.122 ( 0.124 0.000 -1.733) 1.737 16.548 ( -0.906 0.000 0.581) 1.076 16.548 ( 0.906 0.000 0.581) 1.076 16.639 ( -0.698 -0.000 -1.463) 1.621 16.639 ( 0.698 0.000 -1.463) 1.621 16.648 ( -0.298 0.000 0.562) 0.636 16.648 ( 0.298 0.000 0.562) 0.636 16.697 ( -0.675 0.000 0.044) 0.676 16.697 ( 0.675 0.000 0.044) 0.676 17.023 ( -0.279 -0.000 2.115) 2.134 17.023 ( 0.279 -0.000 2.115) 2.134 17.041 ( -0.086 0.000 2.405) 2.406 17.041 ( 0.086 0.000 2.405) 2.406 17.207 ( -0.203 0.000 -1.801) 1.813 17.207 ( 0.203 -0.000 -1.801) 1.813 17.257 ( -1.012 0.000 -2.719) 2.901 17.257 ( 1.012 0.000 -2.719) 2.901 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 0.000 11.899) 11.899 0.561 ( 0.000 0.000 14.595) 14.595 0.675 ( 0.000 0.000 -9.455) 9.455 0.801 ( 0.000 0.000 -10.214) 10.214 0.906 ( 0.000 0.000 21.519) 21.519 0.909 ( 0.000 0.000 -1.253) 1.253 0.939 ( 0.000 0.000 -3.339) 3.339 1.069 ( 0.000 0.000 4.576) 4.576 1.186 ( 0.000 0.000 1.222) 1.222 1.234 ( 0.000 0.000 -2.771) 2.771 1.246 ( 0.000 0.000 1.618) 1.618 1.251 ( 0.000 0.000 -1.604) 1.604 1.290 ( 0.000 0.000 -8.141) 8.141 1.306 ( 0.000 0.000 -4.878) 4.878 1.386 ( 0.000 0.000 -2.046) 2.046 1.389 ( 0.000 0.000 -1.409) 1.409 1.441 ( 0.000 0.000 -0.172) 0.172 1.444 ( 0.000 0.000 -0.050) 0.050 1.602 ( 0.000 0.000 3.929) 3.929 1.636 ( 0.000 0.000 1.801) 1.801 1.643 ( 0.000 0.000 5.215) 5.215 1.671 ( 0.000 0.000 -2.061) 2.061 1.702 ( 0.000 0.000 -0.836) 0.836 1.717 ( 0.000 0.000 1.364) 1.364 1.722 ( 0.000 0.000 -9.616) 9.616 1.758 ( 0.000 0.000 -2.903) 2.903 1.800 ( 0.000 0.000 8.825) 8.825 1.858 ( 0.000 0.000 1.331) 1.331 1.901 ( 0.000 0.000 -1.256) 1.256 1.907 ( 0.000 0.000 -0.550) 0.550 1.937 ( 0.000 0.000 0.075) 0.075 1.940 ( 0.000 0.000 1.768) 1.768 1.947 ( 0.000 0.000 1.724) 1.724 2.004 ( 0.000 0.000 -0.069) 0.069 2.019 ( 0.000 0.000 -7.265) 7.265 2.042 ( 0.000 0.000 -2.548) 2.548 2.066 ( 0.000 0.000 3.555) 3.555 2.130 ( 0.000 0.000 -2.973) 2.973 2.189 ( 0.000 0.000 0.902) 0.902 2.191 ( 0.000 0.000 2.018) 2.018 2.212 ( 0.000 0.000 -1.463) 1.463 2.214 ( 0.000 0.000 4.266) 4.266 2.239 ( 0.000 0.000 -3.796) 3.796 2.282 ( 0.000 0.000 -1.565) 1.565 2.362 ( 0.000 0.000 3.620) 3.620 2.384 ( 0.000 0.000 1.832) 1.832 2.434 ( 0.000 0.000 -0.308) 0.308 2.446 ( 0.000 0.000 0.527) 0.527 2.457 ( 0.000 0.000 -0.645) 0.645 2.459 ( 0.000 0.000 -2.713) 2.713 2.472 ( 0.000 0.000 -1.315) 1.315 2.483 ( 0.000 0.000 -2.042) 2.042 2.555 ( 0.000 0.000 3.584) 3.584 2.614 ( 0.000 0.000 -0.100) 0.100 2.625 ( 0.000 0.000 -3.048) 3.048 2.649 ( 0.000 0.000 -3.894) 3.894 2.733 ( 0.000 0.000 3.894) 3.894 2.765 ( 0.000 0.000 1.435) 1.435 2.810 ( 0.000 0.000 2.610) 2.610 2.817 ( 0.000 0.000 -1.207) 1.207 2.818 ( 0.000 0.000 -1.572) 1.572 2.821 ( 0.000 0.000 1.430) 1.430 2.902 ( 0.000 0.000 1.734) 1.734 2.926 ( 0.000 0.000 -2.099) 2.099 3.010 ( 0.000 0.000 -2.359) 2.359 3.015 ( 0.000 0.000 -1.753) 1.753 3.069 ( 0.000 0.000 -0.821) 0.821 3.118 ( 0.000 0.000 -4.980) 4.980 3.207 ( 0.000 0.000 2.004) 2.004 3.217 ( 0.000 0.000 1.207) 1.207 3.285 ( 0.000 0.000 6.011) 6.011 3.368 ( 0.000 0.000 -2.822) 2.822 4.011 ( 0.000 0.000 1.524) 1.524 4.053 ( 0.000 0.000 -2.992) 2.992 4.136 ( 0.000 0.000 -0.164) 0.164 4.140 ( 0.000 0.000 -0.444) 0.444 4.303 ( 0.000 0.000 1.335) 1.335 4.307 ( 0.000 0.000 1.583) 1.583 4.364 ( 0.000 0.000 1.462) 1.462 4.388 ( 0.000 0.000 -1.221) 1.221 4.419 ( 0.000 0.000 -1.621) 1.621 4.431 ( 0.000 0.000 -3.742) 3.742 4.581 ( 0.000 0.000 3.472) 3.472 4.631 ( 0.000 0.000 1.418) 1.418 4.635 ( 0.000 0.000 -1.938) 1.938 4.654 ( 0.000 0.000 -1.347) 1.347 4.698 ( 0.000 0.000 0.953) 0.953 4.731 ( 0.000 0.000 -2.748) 2.748 4.767 ( 0.000 0.000 1.140) 1.140 4.784 ( 0.000 0.000 -0.531) 0.531 4.810 ( 0.000 0.000 10.439) 10.439 4.869 ( 0.000 0.000 1.661) 1.661 4.879 ( 0.000 0.000 1.036) 1.036 4.928 ( 0.000 0.000 0.759) 0.759 4.973 ( 0.000 0.000 -3.971) 3.971 5.014 ( 0.000 0.000 -11.299) 11.299 5.343 ( 0.000 0.000 4.784) 4.784 5.362 ( 0.000 0.000 1.919) 1.919 5.397 ( 0.000 0.000 -1.807) 1.807 5.427 ( 0.000 0.000 -4.175) 4.175 5.587 ( 0.000 0.000 0.006) 0.006 5.588 ( 0.000 0.000 0.129) 0.129 5.606 ( 0.000 0.000 5.900) 5.900 5.691 ( 0.000 0.000 -2.448) 2.448 5.710 ( 0.000 0.000 2.334) 2.334 5.757 ( 0.000 0.000 -1.823) 1.823 5.767 ( 0.000 0.000 0.949) 0.949 5.776 ( 0.000 0.000 -0.093) 0.093 5.824 ( 0.000 0.000 0.466) 0.466 5.832 ( 0.000 0.000 -0.672) 0.672 5.905 ( 0.000 0.000 3.374) 3.374 5.965 ( 0.000 0.000 -3.030) 3.030 6.102 ( 0.000 0.000 6.096) 6.096 6.248 ( 0.000 0.000 -9.359) 9.359 6.286 ( 0.000 0.000 4.227) 4.227 6.353 ( 0.000 0.000 3.052) 3.052 6.361 ( 0.000 0.000 -3.697) 3.697 6.432 ( 0.000 0.000 -5.342) 5.342 6.510 ( 0.000 0.000 1.854) 1.854 6.537 ( 0.000 0.000 -1.405) 1.405 6.555 ( 0.000 0.000 0.670) 0.670 6.593 ( 0.000 0.000 -3.476) 3.476 6.649 ( 0.000 0.000 2.805) 2.805 6.655 ( 0.000 0.000 1.230) 1.230 6.676 ( 0.000 0.000 3.367) 3.367 6.736 ( 0.000 0.000 3.761) 3.761 6.747 ( 0.000 0.000 -4.444) 4.444 6.853 ( 0.000 0.000 -7.595) 7.595 7.061 ( 0.000 0.000 3.506) 3.506 7.087 ( 0.000 0.000 0.825) 0.825 7.116 ( 0.000 0.000 0.335) 0.335 7.127 ( 0.000 0.000 -1.755) 1.755 7.183 ( 0.000 0.000 1.435) 1.435 7.200 ( 0.000 0.000 -0.366) 0.366 7.213 ( 0.000 0.000 -0.995) 0.995 7.256 ( 0.000 0.000 -5.436) 5.436 7.328 ( 0.000 0.000 -0.177) 0.177 7.334 ( 0.000 0.000 -1.359) 1.359 7.475 ( 0.000 0.000 2.839) 2.839 7.480 ( 0.000 0.000 2.067) 2.067 7.488 ( 0.000 0.000 1.699) 1.699 7.516 ( 0.000 0.000 -0.773) 0.773 7.582 ( 0.000 0.000 7.154) 7.154 7.596 ( 0.000 0.000 3.238) 3.238 7.623 ( 0.000 0.000 -0.502) 0.502 7.660 ( 0.000 0.000 -2.725) 2.725 7.692 ( 0.000 0.000 1.224) 1.224 7.743 ( 0.000 0.000 1.978) 1.978 7.765 ( 0.000 0.000 -6.000) 6.000 7.781 ( 0.000 0.000 -1.712) 1.712 7.947 ( 0.000 0.000 3.250) 3.250 7.988 ( 0.000 0.000 -1.843) 1.843 8.062 ( 0.000 0.000 2.617) 2.617 8.119 ( 0.000 0.000 -3.007) 3.007 8.123 ( 0.000 0.000 11.225) 11.225 8.152 ( 0.000 0.000 -0.266) 0.266 8.156 ( 0.000 0.000 -0.707) 0.707 8.277 ( 0.000 0.000 -2.790) 2.790 8.350 ( 0.000 0.000 5.715) 5.715 8.405 ( 0.000 0.000 0.425) 0.425 8.416 ( 0.000 0.000 -0.943) 0.943 8.455 ( 0.000 0.000 -5.457) 5.457 8.546 ( 0.000 0.000 1.293) 1.293 8.641 ( 0.000 0.000 -6.648) 6.648 8.743 ( 0.000 0.000 2.385) 2.385 8.778 ( 0.000 0.000 -1.444) 1.444 9.014 ( 0.000 0.000 8.154) 8.154 9.159 ( 0.000 0.000 -7.440) 7.440 13.386 ( 0.000 0.000 2.347) 2.347 13.441 ( 0.000 0.000 -3.212) 3.212 13.509 ( 0.000 0.000 1.632) 1.632 13.540 ( 0.000 0.000 -1.891) 1.891 13.617 ( 0.000 0.000 3.512) 3.512 13.656 ( 0.000 0.000 6.043) 6.043 13.668 ( 0.000 0.000 -2.311) 2.311 13.770 ( 0.000 0.000 -5.650) 5.650 13.915 ( 0.000 0.000 3.431) 3.431 13.948 ( 0.000 0.000 1.320) 1.320 13.952 ( 0.000 0.000 0.035) 0.035 13.974 ( 0.000 0.000 -1.603) 1.603 14.092 ( 0.000 0.000 3.312) 3.312 14.132 ( 0.000 0.000 -0.913) 0.913 14.357 ( 0.000 0.000 -2.083) 2.083 14.371 ( 0.000 0.000 -3.232) 3.232 15.523 ( 0.000 0.000 1.048) 1.048 15.545 ( 0.000 0.000 -0.842) 0.842 15.598 ( 0.000 0.000 5.063) 5.063 15.654 ( 0.000 0.000 -1.749) 1.749 15.666 ( 0.000 0.000 -2.717) 2.717 15.671 ( 0.000 0.000 -2.732) 2.732 15.893 ( 0.000 0.000 3.512) 3.512 15.945 ( 0.000 0.000 -2.179) 2.179 15.960 ( 0.000 0.000 -0.484) 0.484 15.961 ( 0.000 0.000 -0.534) 0.534 16.164 ( 0.000 0.000 1.310) 1.310 16.179 ( 0.000 0.000 1.506) 1.506 16.195 ( 0.000 0.000 -2.123) 2.123 16.208 ( 0.000 0.000 -1.649) 1.649 16.234 ( 0.000 0.000 1.283) 1.283 16.262 ( 0.000 0.000 -1.691) 1.691 16.391 ( 0.000 0.000 1.569) 1.569 16.414 ( 0.000 0.000 -0.954) 0.954 16.426 ( 0.000 0.000 0.572) 0.572 16.427 ( 0.000 0.000 0.361) 0.361 16.528 ( 0.000 0.000 3.974) 3.974 16.598 ( 0.000 0.000 -3.557) 3.557 16.615 ( 0.000 0.000 2.731) 2.731 16.670 ( 0.000 0.000 -2.852) 2.852 16.804 ( 0.000 0.000 0.137) 0.137 16.807 ( 0.000 0.000 -0.094) 0.094 16.883 ( 0.000 0.000 0.310) 0.310 16.893 ( 0.000 0.000 -0.904) 0.904 17.018 ( 0.000 0.000 0.839) 0.839 17.021 ( 0.000 0.000 0.478) 0.478 17.215 ( 0.000 0.000 0.174) 0.174 17.223 ( 0.000 0.000 -0.669) 0.669 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 5.038 0.000 9.791) 11.011 0.703 ( 2.861 0.000 -7.595) 8.116 0.743 ( 10.242 0.000 12.776) 16.375 0.919 ( 1.316 0.000 -0.754) 1.517 0.962 ( 7.622 0.000 -0.300) 7.628 0.971 ( 13.158 0.000 -7.585) 15.188 1.090 ( 12.983 0.000 11.261) 17.186 1.172 ( 7.454 0.000 2.301) 7.801 1.256 ( 2.076 0.000 -1.123) 2.361 1.261 ( 2.307 0.000 2.763) 3.599 1.301 ( 6.686 0.000 3.042) 7.345 1.316 ( 3.065 0.000 -4.992) 5.858 1.333 ( 1.779 0.000 -3.658) 4.067 1.364 ( 8.306 0.000 -3.251) 8.919 1.402 ( 1.355 0.000 -1.194) 1.806 1.403 ( 0.845 0.000 -2.248) 2.402 1.427 ( -0.652 0.000 -1.355) 1.504 1.430 ( -0.251 0.000 -0.812) 0.850 1.634 ( 3.544 0.000 1.928) 4.034 1.645 ( 1.123 0.000 3.237) 3.426 1.668 ( 2.260 0.000 0.010) 2.260 1.699 ( -2.145 0.000 3.523) 4.125 1.719 ( 0.934 0.000 -3.952) 4.061 1.722 ( 0.180 0.000 3.007) 3.012 1.739 ( 1.980 0.000 -1.613) 2.554 1.758 ( 0.182 0.000 -3.974) 3.978 1.779 ( -1.245 0.000 4.518) 4.686 1.856 ( -0.902 0.000 -0.955) 1.314 1.889 ( 1.498 0.000 0.201) 1.512 1.947 ( -1.390 0.000 -3.943) 4.181 1.949 ( 0.739 0.000 2.161) 2.284 1.974 ( 3.786 0.000 -1.321) 4.009 1.989 ( 2.303 0.000 1.848) 2.953 2.023 ( 2.323 0.000 0.974) 2.519 2.046 ( 4.453 0.000 0.063) 4.454 2.046 ( 0.872 0.000 -4.147) 4.237 2.080 ( 3.184 0.000 0.497) 3.222 2.095 ( -3.039 0.000 0.284) 3.053 2.175 ( 2.302 0.000 -0.164) 2.308 2.201 ( -1.532 0.000 -1.326) 2.026 2.221 ( 0.571 0.000 0.242) 0.621 2.227 ( 1.352 0.000 0.792) 1.566 2.254 ( 0.836 0.000 0.568) 1.011 2.296 ( 3.624 0.000 -2.868) 4.622 2.331 ( -2.331 0.000 2.010) 3.078 2.351 ( -2.926 0.000 1.125) 3.135 2.381 ( -3.274 0.000 0.622) 3.333 2.409 ( -3.645 0.000 -1.301) 3.870 2.453 ( 0.231 0.000 0.587) 0.631 2.479 ( 0.581 0.000 -0.532) 0.787 2.484 ( 0.225 0.000 -0.423) 0.479 2.485 ( 1.132 0.000 -3.206) 3.400 2.552 ( -0.482 0.000 2.626) 2.669 2.608 ( -0.639 0.000 -1.187) 1.348 2.612 ( -1.115 0.000 -3.257) 3.442 2.624 ( -1.735 0.000 -2.871) 3.354 2.726 ( -1.747 0.000 2.967) 3.443 2.760 ( -1.104 0.000 0.103) 1.109 2.769 ( 0.212 0.000 2.283) 2.293 2.774 ( -1.917 0.000 4.429) 4.826 2.821 ( -0.007 0.000 -3.014) 3.014 2.838 ( -0.589 0.000 -1.798) 1.892 2.875 ( -2.133 0.000 1.395) 2.549 2.932 ( 1.248 0.000 -2.305) 2.621 3.010 ( -0.288 0.000 -0.627) 0.690 3.041 ( -0.037 0.000 -3.233) 3.233 3.059 ( -1.117 0.000 2.158) 2.429 3.125 ( 0.663 0.000 -4.205) 4.257 3.181 ( -1.280 0.000 3.303) 3.542 3.211 ( -0.381 0.000 0.019) 0.381 3.254 ( -2.107 0.000 6.204) 6.552 3.342 ( -2.366 0.000 -3.097) 3.897 4.065 ( 4.527 0.000 0.716) 4.584 4.088 ( 3.316 0.000 -1.753) 3.751 4.176 ( 3.262 0.000 0.920) 3.389 4.194 ( 3.869 0.000 -0.690) 3.930 4.301 ( -0.593 0.000 2.031) 2.116 4.318 ( 1.896 0.000 -0.513) 1.965 4.385 ( 0.019 0.000 -0.297) 0.297 4.385 ( 2.019 0.000 0.308) 2.043 4.424 ( 0.334 0.000 -1.698) 1.730 4.427 ( 0.731 0.000 -2.130) 2.252 4.630 ( 0.352 0.000 1.400) 1.443 4.636 ( 2.980 0.000 1.598) 3.381 4.649 ( -0.123 0.000 -0.631) 0.643 4.658 ( 0.706 0.000 -0.947) 1.181 4.687 ( -1.023 0.000 1.881) 2.142 4.731 ( -2.627 0.000 6.555) 7.062 4.740 ( 1.508 0.000 -3.935) 4.214 4.797 ( 1.227 0.000 -1.225) 1.733 4.808 ( 2.394 0.000 2.175) 3.235 4.909 ( -2.990 0.000 -7.220) 7.814 4.910 ( 3.137 0.000 2.546) 4.040 4.940 ( 0.888 0.000 3.664) 3.771 4.956 ( 5.035 0.000 -1.345) 5.211 5.039 ( 1.029 0.000 -6.299) 6.383 5.379 ( 1.661 0.000 3.171) 3.580 5.380 ( 1.528 0.000 0.568) 1.630 5.396 ( 1.666 0.000 1.748) 2.415 5.470 ( 4.072 0.000 -3.449) 5.337 5.590 ( 0.215 0.000 0.212) 0.302 5.591 ( -0.904 0.000 4.523) 4.612 5.599 ( 0.417 0.000 0.366) 0.555 5.679 ( -2.075 0.000 -0.075) 2.076 5.689 ( -1.585 0.000 -1.514) 2.191 5.710 ( -3.266 0.000 -1.050) 3.430 5.757 ( -1.909 0.000 3.054) 3.601 5.786 ( -0.329 0.000 -0.270) 0.425 5.802 ( 2.384 0.000 1.273) 2.703 5.833 ( 1.468 0.000 -1.642) 2.202 6.023 ( 3.847 0.000 -0.313) 3.859 6.029 ( 4.242 0.000 -0.667) 4.294 6.109 ( 0.866 0.000 5.601) 5.667 6.227 ( -1.788 0.000 -3.139) 3.612 6.275 ( -0.170 0.000 -1.119) 1.132 6.343 ( -1.502 0.000 -4.308) 4.562 6.386 ( 1.689 0.000 -0.937) 1.932 6.392 ( -3.047 0.000 -1.625) 3.454 6.542 ( 2.165 0.000 2.298) 3.157 6.556 ( 0.942 0.000 0.447) 1.043 6.598 ( 3.172 0.000 -2.107) 3.808 6.601 ( 1.243 0.000 -2.239) 2.561 6.665 ( -0.094 0.000 3.696) 3.697 6.680 ( 1.407 0.000 1.319) 1.929 6.724 ( 5.262 0.000 1.603) 5.501 6.741 ( 0.970 0.000 0.860) 1.297 6.768 ( 2.592 0.000 -3.412) 4.285 6.832 ( -1.542 0.000 -7.551) 7.706 7.067 ( 1.196 0.000 3.126) 3.347 7.085 ( 0.472 0.000 1.295) 1.379 7.120 ( -1.629 0.000 0.999) 1.911 7.145 ( 0.978 0.000 -0.652) 1.175 7.150 ( -2.463 0.000 -1.886) 3.103 7.171 ( 1.354 0.000 -3.108) 3.390 7.227 ( -1.572 0.000 1.485) 2.163 7.261 ( -3.032 0.000 -2.340) 3.830 7.291 ( 1.890 0.000 3.371) 3.864 7.362 ( 3.246 0.000 -3.827) 5.019 7.433 ( -0.795 0.000 0.812) 1.136 7.445 ( -0.374 0.000 -0.601) 0.708 7.506 ( 0.058 0.000 3.971) 3.971 7.543 ( -0.102 0.000 2.095) 2.098 7.562 ( -3.619 0.000 1.835) 4.057 7.576 ( -1.873 0.000 0.307) 1.898 7.636 ( 1.183 0.000 3.020) 3.244 7.664 ( 0.133 0.000 -0.813) 0.823 7.686 ( 0.278 0.000 0.045) 0.282 7.761 ( 0.953 0.000 -3.786) 3.904 7.791 ( 3.088 0.000 0.941) 3.228 7.826 ( 3.779 0.000 -1.146) 3.949 7.904 ( -4.390 0.000 2.835) 5.226 7.939 ( -5.135 0.000 -1.240) 5.282 8.048 ( -1.202 0.000 1.745) 2.119 8.071 ( -3.884 0.000 3.473) 5.210 8.108 ( -1.469 0.000 5.052) 5.261 8.150 ( 0.056 0.000 -0.326) 0.331 8.156 ( 0.244 0.000 -0.933) 0.964 8.227 ( -4.771 0.000 -1.149) 4.907 8.289 ( -3.662 0.000 4.234) 5.598 8.369 ( -2.568 0.000 -3.970) 4.728 8.485 ( 2.617 0.000 0.124) 2.620 8.501 ( 1.489 0.000 0.393) 1.540 8.511 ( -1.303 0.000 0.599) 1.434 8.585 ( -5.260 0.000 -6.197) 8.129 8.672 ( -3.788 0.000 1.116) 3.949 8.703 ( -6.584 0.000 -1.699) 6.800 8.979 ( -3.339 0.000 7.669) 8.364 9.116 ( -4.134 0.000 -6.975) 8.108 13.401 ( 1.456 0.000 2.200) 2.638 13.453 ( 1.037 0.000 -2.995) 3.170 13.490 ( -0.905 0.000 2.021) 2.214 13.529 ( -0.667 0.000 -2.172) 2.272 13.608 ( -1.106 0.000 2.996) 3.194 13.637 ( -1.804 0.000 3.064) 3.555 13.660 ( -0.738 0.000 0.404) 0.841 13.743 ( -2.425 0.000 -4.158) 4.814 13.926 ( -1.697 0.000 1.073) 2.008 13.932 ( 1.746 0.000 1.464) 2.279 13.958 ( -1.289 0.000 -0.937) 1.593 13.964 ( 1.184 0.000 0.213) 1.203 14.060 ( -2.882 0.000 2.939) 4.116 14.096 ( -3.312 0.000 -0.850) 3.419 14.323 ( -3.192 0.000 -2.022) 3.779 14.333 ( -3.569 0.000 -2.778) 4.523 15.517 ( -0.496 0.000 0.339) 0.600 15.526 ( -1.624 0.000 0.026) 1.624 15.584 ( -2.765 0.000 3.338) 4.335 15.625 ( -0.845 0.000 0.735) 1.120 15.631 ( -3.035 0.000 -2.928) 4.217 15.668 ( -0.126 0.000 -2.379) 2.383 15.860 ( -3.183 0.000 2.183) 3.860 15.861 ( -7.973 0.000 3.310) 8.633 15.939 ( -0.797 0.000 0.421) 0.901 15.956 ( -0.008 0.000 -1.216) 1.216 16.000 ( -4.131 0.000 1.989) 4.585 16.057 ( -6.587 0.000 -3.336) 7.383 16.135 ( -3.565 0.000 -0.360) 3.583 16.137 ( -4.084 0.000 -0.504) 4.115 16.307 ( -3.874 0.000 1.962) 4.343 16.319 ( -6.183 0.000 0.749) 6.228 16.399 ( 4.466 0.000 -0.768) 4.532 16.407 ( 6.927 0.000 -1.646) 7.120 16.470 ( 3.653 0.000 1.053) 3.802 16.486 ( 3.621 0.000 -0.666) 3.682 16.613 ( 7.267 0.000 3.636) 8.126 16.675 ( 6.695 0.000 -3.148) 7.398 16.692 ( 4.688 0.000 3.332) 5.752 16.743 ( 2.916 0.000 -1.791) 3.422 16.808 ( 0.130 0.000 0.000) 0.130 16.809 ( 0.432 0.000 -0.034) 0.433 16.899 ( 1.791 0.000 2.026) 2.704 16.971 ( 5.430 0.000 -5.665) 7.848 17.068 ( 4.558 0.000 -0.248) 4.564 17.072 ( 4.555 0.000 0.034) 4.556 17.246 ( 2.384 0.000 -0.179) 2.391 17.249 ( 2.008 0.000 -0.436) 2.055 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 7.509 0.000 5.702) 9.428 0.787 ( 5.278 0.000 -7.431) 9.115 0.885 ( 4.405 0.000 5.567) 7.099 0.926 ( -1.937 0.000 -1.139) 2.247 1.124 ( 5.407 0.000 3.693) 6.547 1.208 ( 8.316 0.000 -0.634) 8.340 1.245 ( -0.284 0.000 2.693) 2.707 1.253 ( 1.100 0.000 0.182) 1.115 1.337 ( 2.614 0.000 -0.154) 2.619 1.360 ( 1.217 0.000 -0.918) 1.524 1.371 ( 4.313 0.000 0.841) 4.394 1.383 ( 9.162 0.000 3.709) 9.885 1.398 ( 0.881 0.000 -0.315) 0.936 1.407 ( 2.664 0.000 1.096) 2.880 1.436 ( 2.188 0.000 -1.629) 2.728 1.460 ( 3.884 0.000 -2.684) 4.721 1.492 ( 4.354 0.000 -1.631) 4.650 1.510 ( 3.345 0.000 -2.521) 4.189 1.630 ( -4.264 0.000 1.773) 4.617 1.636 ( -5.662 0.000 0.427) 5.678 1.645 ( -1.374 0.000 4.358) 4.569 1.676 ( -3.507 0.000 5.224) 6.293 1.713 ( -2.442 0.000 -2.484) 3.483 1.743 ( 6.132 0.000 0.299) 6.140 1.744 ( -0.173 0.000 -3.297) 3.301 1.773 ( 2.761 0.000 -2.826) 3.951 1.814 ( 5.093 0.000 2.709) 5.768 1.893 ( -2.597 0.000 -2.098) 3.339 1.913 ( 1.574 0.000 -0.547) 1.666 1.918 ( 4.317 0.000 -2.344) 4.912 1.961 ( -0.035 0.000 1.259) 1.260 1.993 ( -1.561 0.000 1.377) 2.081 2.001 ( -1.835 0.000 -1.251) 2.221 2.037 ( 2.805 0.000 -4.995) 5.729 2.075 ( 1.157 0.000 0.415) 1.229 2.083 ( -0.289 0.000 -0.136) 0.319 2.158 ( -0.169 0.000 2.323) 2.329 2.159 ( 5.083 0.000 1.854) 5.410 2.200 ( 2.948 0.000 -0.005) 2.948 2.242 ( 0.336 0.000 -3.681) 3.696 2.244 ( -0.329 0.000 3.808) 3.822 2.266 ( 0.055 0.000 1.141) 1.142 2.291 ( 4.025 0.000 2.197) 4.586 2.315 ( 1.498 0.000 -1.101) 1.859 2.316 ( 1.613 0.000 -0.719) 1.766 2.341 ( -1.256 0.000 -1.418) 1.894 2.362 ( 5.970 0.000 0.238) 5.975 2.408 ( 4.764 0.000 -5.794) 7.501 2.475 ( 2.023 0.000 0.934) 2.228 2.486 ( 0.561 0.000 1.275) 1.393 2.488 ( 0.283 0.000 1.711) 1.734 2.515 ( 0.957 0.000 -2.963) 3.113 2.519 ( -1.786 0.000 0.071) 1.787 2.559 ( -3.606 0.000 -2.459) 4.365 2.602 ( 0.901 0.000 -0.717) 1.151 2.608 ( 0.592 0.000 -2.064) 2.147 2.680 ( -2.637 0.000 3.989) 4.782 2.738 ( -1.173 0.000 0.223) 1.194 2.755 ( -1.612 0.000 0.085) 1.614 2.765 ( -2.508 0.000 0.344) 2.531 2.817 ( -0.442 0.000 0.349) 0.563 2.856 ( 2.334 0.000 -0.870) 2.491 2.869 ( 0.118 0.000 1.048) 1.055 2.919 ( -1.503 0.000 -4.493) 4.738 2.973 ( -2.079 0.000 0.790) 2.224 3.001 ( -1.299 0.000 -2.011) 2.394 3.040 ( -1.123 0.000 2.754) 2.974 3.114 ( -1.494 0.000 -4.187) 4.446 3.186 ( 1.136 0.000 1.446) 1.840 3.206 ( -0.085 0.000 0.004) 0.085 3.230 ( -0.532 0.000 4.388) 4.420 3.284 ( -3.338 0.000 -1.172) 3.538 4.148 ( 2.988 0.000 0.712) 3.072 4.169 ( 4.108 0.000 -1.470) 4.363 4.234 ( 0.613 0.000 1.173) 1.324 4.254 ( 1.549 0.000 -0.779) 1.734 4.299 ( 1.791 0.000 4.545) 4.885 4.381 ( 3.125 0.000 -4.138) 5.185 4.401 ( 0.408 0.000 2.036) 2.077 4.424 ( 1.122 0.000 -0.311) 1.164 4.449 ( 2.779 0.000 -0.795) 2.891 4.459 ( 3.045 0.000 -2.217) 3.767 4.615 ( -3.455 0.000 1.625) 3.819 4.620 ( -2.985 0.000 -0.233) 2.994 4.660 ( 2.079 0.000 1.488) 2.557 4.670 ( 0.416 0.000 4.715) 4.733 4.686 ( 2.998 0.000 -0.706) 3.080 4.759 ( 3.475 0.000 1.987) 4.003 4.775 ( 0.883 0.000 -5.173) 5.247 4.819 ( 1.585 0.000 -4.158) 4.450 4.885 ( 4.647 0.000 0.449) 4.668 4.909 ( 3.038 0.000 -2.497) 3.932 4.927 ( -2.532 0.000 3.209) 4.088 4.952 ( -0.855 0.000 -0.195) 0.877 5.042 ( 1.516 0.000 -1.692) 2.272 5.053 ( -0.112 0.000 -2.984) 2.986 5.392 ( 2.706 0.000 2.206) 3.491 5.428 ( 4.042 0.000 -1.653) 4.367 5.505 ( 6.516 0.000 7.445) 9.894 5.566 ( 1.644 0.000 5.173) 5.428 5.589 ( 3.345 0.000 1.770) 3.784 5.606 ( -0.329 0.000 1.000) 1.053 5.617 ( -0.628 0.000 0.400) 0.744 5.634 ( 4.318 0.000 -4.863) 6.504 5.649 ( -2.059 0.000 -1.299) 2.435 5.667 ( -1.330 0.000 -1.322) 1.875 5.729 ( -0.560 0.000 -0.270) 0.622 5.753 ( -2.385 0.000 -1.708) 2.934 5.823 ( -1.308 0.000 0.054) 1.309 5.836 ( -2.324 0.000 -1.132) 2.585 5.988 ( -7.192 0.000 2.939) 7.769 6.053 ( -3.933 0.000 -3.300) 5.134 6.149 ( 3.019 0.000 4.087) 5.081 6.219 ( 1.525 0.000 -1.601) 2.211 6.287 ( 0.861 0.000 -1.586) 1.804 6.302 ( -2.913 0.000 -1.332) 3.203 6.359 ( 1.414 0.000 0.194) 1.427 6.388 ( -0.783 0.000 -2.344) 2.471 6.523 ( -3.854 0.000 2.816) 4.773 6.533 ( -3.431 0.000 0.896) 3.546 6.639 ( 2.336 0.000 -0.207) 2.345 6.660 ( 2.973 0.000 -1.823) 3.487 6.682 ( 1.311 0.000 0.972) 1.632 6.711 ( 1.290 0.000 -0.803) 1.519 6.756 ( 0.928 0.000 -0.052) 0.929 6.805 ( 0.962 0.000 -4.354) 4.458 6.808 ( -0.258 0.000 -0.549) 0.607 6.825 ( 0.926 0.000 -4.133) 4.235 7.090 ( 0.709 0.000 0.064) 0.712 7.092 ( -0.240 0.000 0.139) 0.277 7.139 ( 4.740 0.000 1.195) 4.889 7.154 ( 4.651 0.000 0.486) 4.676 7.170 ( -1.624 0.000 0.333) 1.657 7.174 ( -1.493 0.000 -0.740) 1.667 7.246 ( 6.561 0.000 -0.113) 6.562 7.249 ( 4.640 0.000 -0.243) 4.647 7.379 ( 4.549 0.000 2.773) 5.328 7.388 ( 0.705 0.000 1.417) 1.583 7.448 ( -5.980 0.000 0.248) 5.985 7.450 ( -6.789 0.000 0.541) 6.810 7.485 ( 1.686 0.000 -1.214) 2.077 7.495 ( 4.492 0.000 -2.415) 5.100 7.501 ( -0.138 0.000 5.048) 5.050 7.596 ( 1.145 0.000 -5.095) 5.222 7.633 ( 0.928 0.000 7.783) 7.838 7.657 ( -0.820 0.000 0.825) 1.163 7.693 ( -0.173 0.000 -0.449) 0.481 7.760 ( -3.797 0.000 -1.860) 4.228 7.785 ( -3.433 0.000 -0.537) 3.475 7.790 ( -7.898 0.000 0.933) 7.953 7.875 ( 3.711 0.000 3.987) 5.447 7.914 ( 2.974 0.000 0.028) 2.974 7.973 ( -4.532 0.000 5.043) 6.780 8.005 ( -4.065 0.000 0.766) 4.136 8.076 ( -1.798 0.000 1.674) 2.456 8.083 ( -5.745 0.000 4.165) 7.096 8.177 ( 2.063 0.000 -1.646) 2.639 8.187 ( 1.790 0.000 -2.877) 3.389 8.231 ( -1.530 0.000 2.740) 3.138 8.310 ( -3.050 0.000 -5.039) 5.891 8.419 ( -3.997 0.000 -2.726) 4.838 8.425 ( -5.798 0.000 4.578) 7.387 8.458 ( -6.435 0.000 -5.432) 8.421 8.506 ( -6.841 0.000 -3.590) 7.726 8.641 ( 4.638 0.000 3.963) 6.101 8.716 ( 6.155 0.000 -4.022) 7.352 8.886 ( -5.568 0.000 6.571) 8.613 9.002 ( -6.647 0.000 -5.929) 8.907 13.442 ( 2.436 0.000 1.652) 2.943 13.474 ( 1.336 0.000 -0.728) 1.522 13.502 ( 1.734 0.000 -0.212) 1.747 13.527 ( 0.195 0.000 -1.977) 1.986 13.575 ( -1.331 0.000 2.036) 2.432 13.592 ( -2.291 0.000 1.227) 2.599 13.632 ( -2.156 0.000 1.575) 2.670 13.683 ( -3.522 0.000 -2.016) 4.058 13.893 ( -0.855 0.000 1.436) 1.671 13.920 ( -0.754 0.000 -1.613) 1.781 13.969 ( -3.047 0.000 2.501) 3.942 13.999 ( 0.957 0.000 -0.793) 1.243 14.022 ( -0.617 0.000 0.356) 0.712 14.034 ( 2.969 0.000 -0.554) 3.020 14.236 ( -5.168 0.000 -1.782) 5.466 14.236 ( -5.608 0.000 -1.749) 5.875 15.492 ( -1.386 0.000 0.943) 1.676 15.509 ( -0.133 0.000 -1.205) 1.212 15.513 ( -2.870 0.000 2.789) 4.002 15.566 ( -2.933 0.000 -3.048) 4.230 15.631 ( 0.956 0.000 2.703) 2.868 15.676 ( 1.119 0.000 -1.797) 2.117 15.730 ( -4.516 0.000 4.972) 6.716 15.787 ( -3.691 0.000 -0.902) 3.800 15.932 ( -0.205 0.000 0.932) 0.954 15.954 ( -0.313 0.000 -1.319) 1.356 15.956 ( -0.938 0.000 -0.567) 1.095 15.961 ( -2.764 0.000 -1.221) 3.022 16.087 ( -0.650 0.000 0.053) 0.652 16.094 ( -0.330 0.000 -0.644) 0.724 16.193 ( -5.418 0.000 0.924) 5.496 16.202 ( -5.073 0.000 -0.222) 5.078 16.492 ( 3.343 0.000 0.657) 3.407 16.510 ( 3.366 0.000 -1.237) 3.586 16.523 ( 1.513 0.000 0.891) 1.756 16.540 ( 1.569 0.000 -0.824) 1.772 16.745 ( 3.550 0.000 2.465) 4.322 16.763 ( 2.564 0.000 2.867) 3.846 16.775 ( 1.396 0.000 -0.703) 1.563 16.801 ( 0.526 0.000 -0.929) 1.068 16.833 ( 3.048 0.000 -0.209) 3.056 16.845 ( 7.053 0.000 -1.981) 7.326 16.938 ( 1.039 0.000 3.812) 3.951 17.033 ( 0.150 0.000 -5.402) 5.404 17.174 ( 5.097 0.000 -0.392) 5.112 17.178 ( 5.168 0.000 -0.253) 5.174 17.279 ( 0.376 0.000 -0.238) 0.445 17.280 ( 0.579 0.000 -0.274) 0.641 ======================= Grid point 73 (28/36) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -7.391 0.000 2.106) 7.685 0.823 ( 7.391 0.000 2.106) 7.685 0.892 ( -3.784 0.000 -4.904) 6.194 0.892 ( 3.784 0.000 -4.904) 6.194 1.199 ( -4.008 0.000 7.186) 8.228 1.199 ( 4.008 0.000 7.186) 8.228 1.273 ( -0.791 0.000 -0.002) 0.791 1.273 ( 0.791 0.000 -0.002) 0.791 1.409 ( -0.351 0.000 1.199) 1.249 1.409 ( 0.351 0.000 1.199) 1.249 1.409 ( -2.367 0.000 0.432) 2.406 1.409 ( 2.367 0.000 0.432) 2.406 1.458 ( -2.938 0.000 3.184) 4.333 1.458 ( 2.938 0.000 3.184) 4.333 1.493 ( -2.444 0.000 0.841) 2.584 1.493 ( 2.444 0.000 0.841) 2.584 1.532 ( -4.072 0.000 -2.534) 4.796 1.532 ( 4.072 0.000 -2.534) 4.796 1.535 ( -1.239 0.000 -2.586) 2.867 1.535 ( 1.239 0.000 -2.586) 2.867 1.630 ( -0.922 0.000 2.374) 2.547 1.630 ( 0.922 0.000 2.374) 2.547 1.698 ( -1.844 0.000 -5.450) 5.754 1.698 ( 1.844 0.000 -5.450) 5.754 1.847 ( -2.697 0.000 0.357) 2.720 1.847 ( 2.697 0.000 0.357) 2.720 1.862 ( -2.670 0.000 -1.034) 2.863 1.862 ( 2.670 0.000 -1.034) 2.863 1.945 ( -1.136 0.000 1.726) 2.066 1.945 ( 1.136 0.000 1.726) 2.066 1.971 ( -1.507 0.000 -2.641) 3.041 1.971 ( 1.507 0.000 -2.641) 3.041 2.022 ( -5.437 0.000 1.701) 5.696 2.022 ( 5.437 0.000 1.701) 5.696 2.090 ( -1.361 0.000 -3.286) 3.557 2.090 ( 1.361 0.000 -3.286) 3.557 2.182 ( -2.132 0.000 3.460) 4.064 2.182 ( 2.132 0.000 3.460) 4.064 2.203 ( -1.454 0.000 2.378) 2.787 2.203 ( 1.454 0.000 2.378) 2.787 2.277 ( -3.557 0.000 -0.040) 3.557 2.277 ( 3.557 0.000 -0.040) 3.557 2.293 ( -1.110 0.000 -4.493) 4.628 2.293 ( 1.110 0.000 -4.493) 4.628 2.386 ( -3.515 0.000 2.115) 4.103 2.386 ( 3.515 0.000 2.115) 4.103 2.451 ( -5.480 0.000 -1.367) 5.648 2.451 ( 5.480 0.000 -1.367) 5.648 2.492 ( -0.346 0.000 2.814) 2.835 2.492 ( 0.346 0.000 2.814) 2.835 2.496 ( -0.914 0.000 -0.522) 1.053 2.496 ( 0.914 0.000 -0.522) 1.053 2.578 ( -5.593 0.000 -1.142) 5.709 2.578 ( 5.593 0.000 -1.142) 5.709 2.620 ( -6.661 0.000 -5.600) 8.703 2.620 ( 6.661 0.000 -5.600) 8.703 2.671 ( -4.468 0.000 1.859) 4.840 2.671 ( 4.468 0.000 1.859) 4.840 2.688 ( -1.598 0.000 0.021) 1.598 2.688 ( 1.598 0.000 0.021) 1.598 2.827 ( -1.882 0.000 3.116) 3.641 2.827 ( 1.882 0.000 3.116) 3.641 2.892 ( -1.073 0.000 -3.084) 3.265 2.892 ( 1.073 0.000 -3.084) 3.265 2.996 ( -2.929 0.000 2.256) 3.697 2.996 ( 2.929 0.000 2.256) 3.697 3.063 ( -4.257 0.000 -4.418) 6.135 3.063 ( 4.257 0.000 -4.418) 6.135 3.214 ( -0.919 0.000 1.464) 1.728 3.214 ( 0.919 0.000 1.464) 1.728 3.217 ( -2.518 0.000 1.053) 2.729 3.217 ( 2.518 0.000 1.053) 2.729 4.201 ( -2.507 0.000 2.063) 3.247 4.201 ( 2.507 0.000 2.063) 3.247 4.241 ( -2.645 0.000 -2.090) 3.371 4.241 ( 2.645 0.000 -2.090) 3.371 4.363 ( -3.303 0.000 3.552) 4.850 4.363 ( 3.303 0.000 3.552) 4.850 4.423 ( -1.337 0.000 -2.937) 3.227 4.423 ( 1.337 0.000 -2.937) 3.227 4.538 ( -4.470 0.000 -0.084) 4.471 4.538 ( 4.470 0.000 -0.084) 4.471 4.542 ( -4.390 0.000 -0.840) 4.469 4.542 ( 4.390 0.000 -0.840) 4.469 4.684 ( -0.545 0.000 3.742) 3.781 4.684 ( 0.545 0.000 3.742) 3.781 4.756 ( -2.703 0.000 -2.530) 3.702 4.756 ( 2.703 0.000 -2.530) 3.702 4.843 ( -4.741 0.000 2.456) 5.340 4.843 ( 4.741 0.000 2.456) 5.340 4.887 ( -4.242 0.000 -3.518) 5.510 4.887 ( 4.242 0.000 -3.518) 5.510 4.991 ( -5.224 0.000 -1.200) 5.360 4.991 ( 5.224 0.000 -1.200) 5.360 4.996 ( -4.800 0.000 -1.713) 5.096 4.996 ( 4.800 0.000 -1.713) 5.096 5.502 ( -6.115 0.000 3.480) 7.036 5.502 ( 6.115 0.000 3.480) 7.036 5.537 ( -4.546 0.000 0.451) 4.569 5.537 ( 4.546 0.000 0.451) 4.569 5.612 ( -2.903 0.000 4.334) 5.217 5.612 ( 2.903 0.000 4.334) 5.217 5.640 ( -1.768 0.000 -0.353) 1.803 5.640 ( 1.768 0.000 -0.353) 1.803 5.707 ( -3.084 0.000 0.873) 3.205 5.707 ( 3.084 0.000 0.873) 3.205 5.744 ( -1.661 0.000 -2.651) 3.129 5.744 ( 1.661 0.000 -2.651) 3.129 5.793 ( -6.421 0.000 2.146) 6.770 5.793 ( 6.421 0.000 2.146) 6.770 5.883 ( -9.953 0.000 -6.195) 11.723 5.883 ( 9.953 0.000 -6.195) 11.723 6.225 ( -4.161 0.000 2.315) 4.761 6.225 ( 4.161 0.000 2.315) 4.761 6.267 ( -2.482 0.000 -1.805) 3.069 6.267 ( 2.482 0.000 -1.805) 3.069 6.428 ( -4.578 0.000 1.207) 4.734 6.428 ( 4.578 0.000 1.207) 4.734 6.439 ( -5.113 0.000 -0.093) 5.114 6.439 ( 5.113 0.000 -0.093) 5.114 6.681 ( -1.397 0.000 0.361) 1.442 6.681 ( 1.397 0.000 0.361) 1.442 6.711 ( -1.529 0.000 -1.780) 2.347 6.711 ( 1.529 0.000 -1.780) 2.347 6.783 ( -1.544 0.000 0.053) 1.545 6.783 ( 1.544 0.000 0.053) 1.545 6.821 ( -0.783 0.000 -4.606) 4.672 6.821 ( 0.783 0.000 -4.606) 4.672 7.115 ( -2.270 0.000 0.416) 2.308 7.115 ( 2.270 0.000 0.416) 2.308 7.123 ( -2.318 0.000 -0.452) 2.362 7.123 ( 2.318 0.000 -0.452) 2.362 7.285 ( -8.086 0.000 0.517) 8.102 7.285 ( 8.086 0.000 0.517) 8.102 7.297 ( -7.391 0.000 -0.485) 7.407 7.297 ( 7.391 0.000 -0.485) 7.407 7.381 ( -3.546 0.000 1.011) 3.688 7.381 ( 3.546 0.000 1.011) 3.688 7.384 ( -6.678 0.000 0.985) 6.750 7.384 ( 6.678 0.000 0.985) 6.750 7.533 ( -4.474 0.000 2.124) 4.953 7.533 ( 4.474 0.000 2.124) 4.953 7.544 ( -2.994 0.000 1.435) 3.320 7.544 ( 2.994 0.000 1.435) 3.320 7.640 ( -1.953 0.000 1.956) 2.764 7.640 ( 1.953 0.000 1.956) 2.764 7.678 ( -1.412 0.000 -0.815) 1.631 7.678 ( 1.412 0.000 -0.815) 1.631 7.796 ( -8.507 0.000 3.562) 9.222 7.796 ( 8.507 0.000 3.562) 9.222 7.826 ( -5.430 0.000 0.504) 5.453 7.826 ( 5.430 0.000 0.504) 5.453 8.000 ( -3.618 0.000 4.148) 5.504 8.000 ( 3.618 0.000 4.148) 5.504 8.023 ( -3.645 0.000 0.652) 3.702 8.023 ( 3.645 0.000 0.652) 3.702 8.222 ( -0.946 0.000 -2.126) 2.327 8.222 ( 0.946 0.000 -2.126) 2.327 8.241 ( -3.812 0.000 -3.292) 5.037 8.241 ( 3.812 0.000 -3.292) 5.037 8.368 ( -1.138 0.000 -1.157) 1.623 8.368 ( 1.138 0.000 -1.157) 1.623 8.388 ( -2.568 0.000 -2.819) 3.814 8.388 ( 2.568 0.000 -2.819) 3.814 8.762 ( -6.318 0.000 5.283) 8.236 8.762 ( 6.318 0.000 5.283) 8.236 8.858 ( -7.306 0.000 -4.913) 8.804 8.858 ( 7.306 0.000 -4.913) 8.804 13.495 ( -2.660 0.000 0.851) 2.793 13.495 ( 2.660 0.000 0.851) 2.793 13.511 ( -1.673 0.000 -0.512) 1.750 13.511 ( 1.673 0.000 -0.512) 1.750 13.582 ( -2.062 0.000 1.192) 2.381 13.582 ( 2.062 0.000 1.192) 2.381 13.606 ( -3.544 0.000 -0.829) 3.639 13.606 ( 3.544 0.000 -0.829) 3.639 13.907 ( -2.199 0.000 2.046) 3.004 13.907 ( 2.199 0.000 2.046) 3.004 13.939 ( -2.505 0.000 -1.365) 2.853 13.939 ( 2.505 0.000 -1.365) 2.853 14.118 ( -5.792 0.000 -0.582) 5.821 14.118 ( 5.792 0.000 -0.582) 5.821 14.126 ( -5.323 0.000 -1.347) 5.491 14.126 ( 5.323 0.000 -1.347) 5.491 15.480 ( -0.422 0.000 2.023) 2.066 15.480 ( 0.422 0.000 2.023) 2.066 15.521 ( -1.414 0.000 -2.503) 2.875 15.521 ( 1.414 0.000 -2.503) 2.875 15.663 ( -2.314 0.000 3.745) 4.402 15.663 ( 2.314 0.000 3.745) 4.402 15.718 ( -2.933 0.000 -1.796) 3.440 15.718 ( 2.933 0.000 -1.796) 3.440 15.932 ( -0.463 0.000 0.518) 0.695 15.932 ( 0.463 0.000 0.518) 0.695 15.949 ( -0.142 0.000 -1.109) 1.118 15.949 ( 0.142 0.000 -1.109) 1.118 16.109 ( -2.676 0.000 0.589) 2.741 16.109 ( 2.676 0.000 0.589) 2.741 16.121 ( -2.802 0.000 -0.738) 2.898 16.121 ( 2.802 0.000 -0.738) 2.898 16.532 ( -0.692 0.000 0.847) 1.094 16.532 ( 0.692 0.000 0.847) 1.094 16.550 ( -0.620 0.000 -1.009) 1.185 16.550 ( 0.620 0.000 -1.009) 1.185 16.778 ( -0.576 0.000 1.728) 1.821 16.778 ( 0.576 0.000 1.728) 1.821 16.795 ( -0.704 0.000 -0.345) 0.784 16.795 ( 0.704 0.000 -0.345) 0.784 16.916 ( -3.233 0.000 2.494) 4.083 16.916 ( 3.233 0.000 2.494) 4.083 16.980 ( -5.069 0.000 -3.905) 6.399 16.980 ( 5.069 0.000 -3.905) 6.399 17.256 ( -2.680 0.000 0.164) 2.685 17.256 ( 2.680 0.000 0.164) 2.685 17.261 ( -2.604 0.000 -0.276) 2.618 17.261 ( 2.604 0.000 -0.276) 2.618 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.000 5.397 13.042) 14.114 0.647 ( 0.000 10.921 10.793) 15.354 0.813 ( 0.000 10.560 -6.948) 12.641 0.831 ( 0.000 2.333 -4.943) 5.466 0.870 ( 0.000 -1.933 -1.776) 2.625 0.946 ( 0.000 -6.230 9.960) 11.748 0.967 ( 0.000 1.560 -6.244) 6.436 1.012 ( 0.000 6.567 11.511) 13.253 1.103 ( 0.000 -7.662 -7.585) 10.781 1.209 ( 0.000 3.330 -7.149) 7.886 1.284 ( 0.000 1.949 0.611) 2.043 1.303 ( 0.000 5.932 2.493) 6.435 1.312 ( 0.000 -0.883 -2.138) 2.314 1.346 ( 0.000 3.231 -1.923) 3.760 1.439 ( 0.000 5.182 1.978) 5.546 1.440 ( 0.000 0.791 0.652) 1.025 1.471 ( 0.000 3.715 -2.135) 4.285 1.499 ( 0.000 7.073 -3.346) 7.825 1.622 ( 0.000 1.638 3.334) 3.715 1.625 ( 0.000 -4.446 3.238) 5.501 1.650 ( 0.000 -3.782 1.297) 3.998 1.664 ( 0.000 1.678 2.537) 3.042 1.676 ( 0.000 -6.253 -0.777) 6.302 1.677 ( 0.000 -1.121 -2.282) 2.542 1.700 ( 0.000 -1.561 -1.863) 2.430 1.761 ( 0.000 3.485 -7.655) 8.411 1.816 ( 0.000 2.958 8.765) 9.251 1.858 ( 0.000 -3.706 5.091) 6.297 1.909 ( 0.000 2.888 0.264) 2.901 1.928 ( 0.000 -0.608 0.330) 0.692 1.935 ( 0.000 4.017 -0.441) 4.042 1.959 ( 0.000 -0.705 -3.727) 3.793 1.984 ( 0.000 3.412 -0.662) 3.475 2.029 ( 0.000 2.005 0.660) 2.110 2.035 ( 0.000 -0.479 -4.738) 4.763 2.048 ( 0.000 0.598 -1.238) 1.375 2.071 ( 0.000 1.858 1.190) 2.206 2.125 ( 0.000 -3.679 1.823) 4.106 2.136 ( 0.000 0.319 -2.257) 2.280 2.163 ( 0.000 -5.648 -1.394) 5.818 2.171 ( 0.000 -3.410 5.064) 6.105 2.223 ( 0.000 0.085 -0.402) 0.411 2.237 ( 0.000 2.182 -1.102) 2.445 2.280 ( 0.000 -0.438 -3.968) 3.992 2.355 ( 0.000 -1.900 1.301) 2.303 2.386 ( 0.000 -3.500 1.252) 3.717 2.389 ( 0.000 1.930 3.843) 4.300 2.409 ( 0.000 -2.804 -3.822) 4.741 2.424 ( 0.000 -2.414 -3.243) 4.043 2.457 ( 0.000 0.853 -3.119) 3.233 2.512 ( 0.000 -1.145 0.005) 1.145 2.518 ( 0.000 1.859 -0.113) 1.862 2.554 ( 0.000 0.999 4.873) 4.974 2.593 ( 0.000 0.285 -1.516) 1.542 2.608 ( 0.000 -2.211 -3.266) 3.944 2.625 ( 0.000 0.392 -2.327) 2.360 2.735 ( 0.000 -1.038 2.880) 3.061 2.758 ( 0.000 -4.573 4.936) 6.729 2.776 ( 0.000 -0.271 2.017) 2.035 2.788 ( 0.000 0.199 -1.265) 1.281 2.819 ( 0.000 -1.306 -0.628) 1.449 2.825 ( 0.000 0.014 -2.910) 2.910 2.870 ( 0.000 -2.524 1.218) 2.802 2.894 ( 0.000 -3.107 -2.366) 3.905 3.018 ( 0.000 1.057 -1.103) 1.528 3.035 ( 0.000 1.557 -2.131) 2.639 3.069 ( 0.000 -0.331 -0.844) 0.906 3.102 ( 0.000 -1.692 -3.236) 3.652 3.207 ( 0.000 0.483 3.470) 3.503 3.236 ( 0.000 1.684 0.343) 1.719 3.262 ( 0.000 -1.946 5.566) 5.897 3.337 ( 0.000 -2.880 -2.344) 3.713 4.030 ( 0.000 1.949 1.374) 2.385 4.070 ( 0.000 1.859 -2.995) 3.525 4.118 ( 0.000 -1.643 0.537) 1.728 4.137 ( 0.000 -0.544 -1.437) 1.537 4.306 ( 0.000 1.080 1.986) 2.261 4.342 ( 0.000 2.193 -1.028) 2.422 4.361 ( 0.000 -0.490 2.389) 2.439 4.402 ( 0.000 0.605 -2.086) 2.172 4.402 ( 0.000 0.139 1.718) 1.723 4.469 ( 0.000 2.181 -4.480) 4.983 4.505 ( 0.000 -4.739 1.889) 5.101 4.538 ( 0.000 -4.133 -1.387) 4.360 4.677 ( 0.000 0.348 0.705) 0.786 4.691 ( 0.000 0.003 -0.567) 0.567 4.734 ( 0.000 -2.977 1.072) 3.164 4.739 ( 0.000 4.813 1.631) 5.081 4.754 ( 0.000 -2.640 -0.973) 2.814 4.775 ( 0.000 4.428 -1.783) 4.773 4.827 ( 0.000 1.492 8.015) 8.152 4.862 ( 0.000 -1.168 2.761) 2.998 4.873 ( 0.000 -0.643 2.130) 2.224 4.913 ( 0.000 -1.588 0.057) 1.589 4.974 ( 0.000 0.202 -5.494) 5.498 5.003 ( 0.000 -0.862 -10.199) 10.235 5.336 ( 0.000 -0.417 4.293) 4.313 5.358 ( 0.000 -0.600 1.644) 1.750 5.388 ( 0.000 -0.566 -1.700) 1.792 5.410 ( 0.000 -1.357 -3.732) 3.971 5.601 ( 0.000 1.494 0.683) 1.642 5.611 ( 0.000 1.778 -0.240) 1.794 5.618 ( 0.000 1.096 6.138) 6.235 5.684 ( 0.000 -2.203 1.069) 2.449 5.711 ( 0.000 1.421 -0.457) 1.493 5.752 ( 0.000 -0.090 -2.953) 2.954 5.752 ( 0.000 -0.874 3.149) 3.268 5.791 ( 0.000 0.033 -0.905) 0.906 5.819 ( 0.000 0.077 1.462) 1.464 5.849 ( 0.000 0.976 -1.882) 2.120 5.857 ( 0.000 -2.870 3.230) 4.321 5.926 ( 0.000 -3.482 -3.602) 5.010 6.138 ( 0.000 3.273 4.997) 5.973 6.258 ( 0.000 1.036 -7.701) 7.771 6.259 ( 0.000 -2.472 4.252) 4.918 6.338 ( 0.000 -2.318 -4.097) 4.707 6.387 ( 0.000 2.996 3.392) 4.526 6.470 ( 0.000 2.686 -5.476) 6.099 6.490 ( 0.000 -1.822 2.361) 2.982 6.530 ( 0.000 -0.629 -2.145) 2.235 6.586 ( 0.000 3.936 2.964) 4.927 6.641 ( 0.000 3.188 -2.285) 3.922 6.649 ( 0.000 0.791 1.283) 1.508 6.654 ( 0.000 0.047 0.361) 0.364 6.697 ( 0.000 3.047 2.340) 3.842 6.767 ( 0.000 2.328 -4.756) 5.296 6.774 ( 0.000 2.715 6.401) 6.953 6.897 ( 0.000 2.020 -5.695) 6.043 7.033 ( 0.000 -2.057 3.452) 4.018 7.070 ( 0.000 -1.361 -0.389) 1.416 7.074 ( 0.000 -4.085 2.354) 4.715 7.104 ( 0.000 -2.389 -1.576) 2.862 7.202 ( 0.000 1.466 -0.873) 1.707 7.213 ( 0.000 1.489 0.655) 1.627 7.229 ( 0.000 0.253 -0.519) 0.577 7.240 ( 0.000 -1.151 -4.238) 4.392 7.339 ( 0.000 0.676 -0.977) 1.188 7.348 ( 0.000 2.436 -1.640) 2.936 7.452 ( 0.000 -2.049 1.491) 2.534 7.459 ( 0.000 -4.479 1.248) 4.650 7.477 ( 0.000 0.557 3.302) 3.348 7.518 ( 0.000 1.875 -0.541) 1.951 7.552 ( 0.000 -3.673 3.598) 5.142 7.599 ( 0.000 -3.184 -1.804) 3.659 7.605 ( 0.000 2.623 6.740) 7.233 7.691 ( 0.000 2.502 2.528) 3.557 7.708 ( 0.000 2.675 -3.448) 4.364 7.747 ( 0.000 -2.133 3.509) 4.107 7.772 ( 0.000 1.188 -4.897) 5.039 7.803 ( 0.000 2.054 -2.603) 3.316 7.897 ( 0.000 -4.167 2.618) 4.921 7.942 ( 0.000 -3.690 -1.846) 4.126 8.018 ( 0.000 -1.363 2.162) 2.556 8.078 ( 0.000 -5.744 -3.638) 6.799 8.093 ( 0.000 -3.026 9.833) 10.288 8.202 ( 0.000 5.831 1.447) 6.008 8.235 ( 0.000 5.276 -1.695) 5.541 8.235 ( 0.000 -4.335 -3.473) 5.555 8.352 ( 0.000 3.344 4.365) 5.499 8.383 ( 0.000 -2.381 0.623) 2.461 8.392 ( 0.000 -2.506 -0.461) 2.548 8.446 ( 0.000 2.409 -5.134) 5.671 8.522 ( 0.000 -2.536 1.240) 2.823 8.612 ( 0.000 -3.007 -6.289) 6.971 8.827 ( 0.000 6.465 4.401) 7.821 8.910 ( 0.000 9.188 -4.671) 10.307 8.992 ( 0.000 -2.220 7.910) 8.216 9.134 ( 0.000 -2.667 -7.335) 7.805 13.394 ( 0.000 0.921 2.428) 2.597 13.448 ( 0.000 0.784 -2.896) 3.000 13.471 ( 0.000 -2.989 2.512) 3.904 13.512 ( 0.000 -2.266 -1.781) 2.882 13.647 ( 0.000 2.945 2.180) 3.664 13.675 ( 0.000 1.225 4.055) 4.236 13.677 ( 0.000 0.801 -1.360) 1.579 13.766 ( 0.000 -1.105 -5.198) 5.314 13.913 ( 0.000 -0.099 4.014) 4.015 13.931 ( 0.000 -1.015 2.569) 2.762 13.955 ( 0.000 0.417 0.102) 0.430 13.987 ( 0.000 0.097 -3.268) 3.270 14.095 ( 0.000 1.965 5.133) 5.496 14.176 ( 0.000 3.596 -3.052) 4.716 14.295 ( 0.000 -5.618 -0.737) 5.666 14.336 ( 0.000 -3.564 -4.281) 5.570 15.526 ( 0.000 0.490 1.951) 2.012 15.562 ( 0.000 1.502 -2.075) 2.562 15.579 ( 0.000 -1.800 4.306) 4.667 15.636 ( 0.000 0.491 3.466) 3.501 15.639 ( 0.000 -2.525 -1.339) 2.858 15.733 ( 0.000 4.581 -6.492) 7.945 15.796 ( 0.000 -7.103 5.335) 8.883 15.895 ( 0.000 -2.986 -5.150) 5.953 16.022 ( 0.000 4.924 0.763) 4.983 16.037 ( 0.000 5.366 -0.727) 5.415 16.173 ( 0.000 -1.039 1.446) 1.781 16.192 ( 0.000 1.680 1.168) 2.046 16.198 ( 0.000 -1.558 -0.901) 1.800 16.218 ( 0.000 1.628 -1.847) 2.462 16.221 ( 0.000 -0.918 0.822) 1.233 16.248 ( 0.000 -1.058 -1.836) 2.119 16.400 ( 0.000 0.939 1.445) 1.723 16.419 ( 0.000 0.402 -0.517) 0.655 16.422 ( 0.000 -0.237 0.970) 0.999 16.430 ( 0.000 0.044 0.094) 0.104 16.522 ( 0.000 -0.483 3.835) 3.865 16.567 ( 0.000 -3.827 2.291) 4.460 16.589 ( 0.000 -0.834 -3.389) 3.490 16.598 ( 0.000 -3.192 -1.082) 3.370 16.821 ( 0.000 2.439 0.665) 2.528 16.829 ( 0.000 2.630 -0.247) 2.642 16.929 ( 0.000 6.300 6.218) 8.852 16.975 ( 0.000 -3.901 0.945) 4.014 16.986 ( 0.000 -3.705 -0.183) 3.709 17.073 ( 0.000 9.732 -9.806) 13.816 17.155 ( 0.000 -4.257 4.468) 6.171 17.244 ( 0.000 -0.134 -4.980) 4.982 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 5.243 8.285 10.086) 14.066 0.821 ( 9.580 9.418 8.576) 15.937 0.839 ( 2.503 9.317 -6.647) 11.716 0.906 ( 6.747 -0.677 4.358) 8.061 0.989 ( 6.008 3.269 -7.666) 10.274 1.014 ( 9.726 2.289 -6.255) 11.788 1.085 ( 10.251 0.468 9.808) 14.195 1.135 ( 11.699 -4.561 4.674) 13.398 1.213 ( 8.668 -4.630 -4.893) 10.977 1.267 ( 4.416 2.826 -3.551) 6.332 1.304 ( 0.458 1.776 2.532) 3.126 1.322 ( 1.292 0.066 -1.661) 2.105 1.330 ( 2.212 3.275 -0.625) 4.001 1.360 ( 2.282 0.153 -3.633) 4.293 1.428 ( -0.423 2.149 1.031) 2.420 1.457 ( 0.791 3.992 1.328) 4.281 1.476 ( 1.034 4.264 -1.520) 4.643 1.514 ( -0.029 5.920 -2.308) 6.355 1.631 ( -0.121 -2.811 3.847) 4.766 1.652 ( 2.430 -0.712 1.881) 3.155 1.681 ( 2.205 0.103 -0.047) 2.208 1.692 ( 3.864 -0.708 1.873) 4.352 1.704 ( 0.926 -4.159 -1.331) 4.463 1.721 ( 1.737 -0.192 3.164) 3.614 1.743 ( 2.379 1.942 -2.885) 4.214 1.760 ( 0.475 1.621 -2.812) 3.280 1.796 ( -0.818 3.278 4.716) 5.802 1.873 ( -0.302 0.687 2.342) 2.460 1.900 ( 1.731 -3.256 1.166) 3.868 1.906 ( -1.135 1.545 -0.747) 2.057 1.954 ( -1.318 1.056 -2.977) 3.423 1.981 ( 0.152 -0.600 -2.727) 2.796 1.998 ( 0.666 1.150 0.637) 1.474 2.030 ( -0.044 1.164 -2.071) 2.376 2.046 ( 3.452 -1.655 1.130) 3.991 2.063 ( 2.295 1.821 0.886) 3.061 2.096 ( -1.321 0.132 0.695) 1.498 2.108 ( 4.057 0.818 -2.434) 4.801 2.152 ( 1.867 -2.942 0.545) 3.527 2.155 ( -0.537 -3.695 2.714) 4.616 2.189 ( 1.949 -4.083 -1.325) 4.714 2.208 ( -1.863 0.550 -1.514) 2.463 2.248 ( 1.775 -1.090 -2.214) 3.040 2.258 ( 0.001 0.359 -1.035) 1.095 2.342 ( -3.101 0.958 3.036) 4.444 2.361 ( 0.853 -0.230 0.005) 0.884 2.389 ( -2.100 -0.784 -0.946) 2.433 2.403 ( -0.808 0.200 -0.810) 1.161 2.440 ( 1.615 -1.293 -1.055) 2.322 2.462 ( 0.147 -0.886 -2.099) 2.283 2.467 ( -1.128 -2.001 -0.118) 2.300 2.500 ( -0.487 0.766 -1.573) 1.816 2.548 ( -1.616 -0.503 2.044) 2.654 2.579 ( -2.325 -1.899 -1.624) 3.413 2.599 ( -0.335 -0.817 -0.688) 1.119 2.615 ( -0.314 0.051 -2.785) 2.803 2.719 ( -2.191 -2.222 3.940) 5.026 2.737 ( -1.122 -0.109 2.076) 2.362 2.758 ( -1.471 -1.016 1.355) 2.243 2.778 ( -0.433 -0.884 0.909) 1.340 2.803 ( 0.334 -0.941 -2.175) 2.394 2.826 ( 0.243 -1.377 -1.333) 1.932 2.868 ( -0.693 -0.531 0.471) 0.992 2.928 ( 1.840 -0.441 -3.661) 4.121 3.014 ( -1.315 0.020 0.148) 1.323 3.034 ( 0.199 0.331 -0.341) 0.515 3.069 ( -1.623 0.303 -0.497) 1.724 3.100 ( 0.463 -2.164 -2.503) 3.341 3.185 ( -1.463 0.549 3.858) 4.163 3.225 ( -0.664 1.384 -0.340) 1.572 3.239 ( -1.429 -1.257 5.141) 5.482 3.316 ( -1.895 -2.444 -2.657) 4.077 4.079 ( 4.195 1.166 0.600) 4.395 4.095 ( 2.526 0.873 -1.133) 2.903 4.175 ( 3.919 -1.719 -0.207) 4.284 4.180 ( 3.710 0.317 -0.765) 3.801 4.307 ( 0.047 0.681 2.349) 2.446 4.342 ( 0.513 1.671 -1.420) 2.252 4.377 ( 1.702 0.178 0.953) 1.959 4.408 ( 0.392 1.249 -1.847) 2.264 4.416 ( 1.637 0.931 1.899) 2.674 4.464 ( 0.857 1.250 -2.542) 2.960 4.550 ( 2.779 -4.187 -0.211) 5.030 4.553 ( 1.328 -3.889 -0.275) 4.119 4.665 ( -1.903 -1.162 2.130) 3.084 4.677 ( -1.569 -0.325 -0.144) 1.609 4.704 ( -1.738 -1.484 1.296) 2.627 4.735 ( -0.497 1.568 3.105) 3.514 4.743 ( -0.023 -1.130 -1.581) 1.943 4.804 ( 2.032 2.514 -2.446) 4.054 4.816 ( 2.156 1.277 2.111) 3.277 4.899 ( -2.117 -1.000 -5.901) 6.348 4.910 ( 3.349 -0.202 2.521) 4.196 4.937 ( 2.314 -0.065 4.736) 5.271 4.960 ( 4.093 0.205 -2.197) 4.650 5.049 ( 1.816 0.875 -6.502) 6.807 5.371 ( 2.580 -0.673 4.015) 4.819 5.373 ( 1.470 -0.836 1.560) 2.301 5.395 ( 1.215 0.299 -0.860) 1.519 5.448 ( 3.658 -1.882 -3.457) 5.374 5.581 ( -1.364 0.519 3.307) 3.615 5.601 ( -0.373 0.338 1.802) 1.871 5.630 ( 0.110 1.963 0.137) 1.970 5.669 ( -1.649 -1.506 -0.354) 2.262 5.693 ( -1.743 -0.004 0.728) 1.889 5.711 ( -2.001 0.369 -0.049) 2.036 5.744 ( -1.396 0.082 1.857) 2.325 5.777 ( -0.249 -0.143 0.044) 0.290 5.837 ( 2.037 1.919 -0.236) 2.809 5.852 ( 1.398 1.503 -2.250) 3.046 5.988 ( 5.459 -2.817 -0.188) 6.146 5.996 ( 4.846 -2.925 -0.853) 5.724 6.132 ( -0.316 1.774 4.174) 4.547 6.223 ( -1.876 -0.220 -2.425) 3.074 6.259 ( -0.431 -1.384 0.690) 1.605 6.343 ( 0.386 -0.267 -5.171) 5.193 6.403 ( 0.891 1.761 0.467) 2.028 6.422 ( -3.021 2.216 -1.239) 3.946 6.504 ( 0.793 -2.427 2.107) 3.310 6.554 ( 0.824 -1.096 -3.607) 3.859 6.608 ( 1.483 3.001 3.540) 4.872 6.658 ( 1.335 1.666 0.539) 2.201 6.669 ( 1.862 2.375 -0.952) 3.165 6.688 ( 1.754 0.496 -0.814) 1.997 6.702 ( 1.143 0.187 2.640) 2.883 6.772 ( 0.977 2.203 -4.428) 5.041 6.806 ( 2.533 3.935 3.260) 5.703 6.895 ( 0.282 3.342 -5.225) 6.209 7.040 ( 1.382 -1.712 3.252) 3.926 7.075 ( 0.868 -1.111 -0.568) 1.520 7.088 ( 0.721 -2.487 2.333) 3.485 7.125 ( 2.363 -2.288 -1.588) 3.652 7.178 ( -1.939 1.944 -0.174) 2.751 7.189 ( -0.224 1.507 -0.891) 1.765 7.230 ( 0.602 -0.195 0.870) 1.076 7.279 ( -1.628 1.889 -3.337) 4.166 7.303 ( 0.968 0.693 1.864) 2.212 7.354 ( 2.405 -0.879 -3.149) 4.059 7.440 ( -2.061 0.809 2.141) 3.080 7.455 ( -0.716 0.907 -0.168) 1.167 7.502 ( -0.283 -0.598 1.342) 1.496 7.508 ( 2.338 -2.892 1.009) 3.853 7.526 ( -3.123 -2.793 2.642) 4.954 7.562 ( -3.558 -1.383 -0.374) 3.836 7.619 ( 0.851 -0.800 3.527) 3.715 7.684 ( -1.173 0.441 0.623) 1.400 7.694 ( 0.180 1.714 0.054) 1.725 7.749 ( -0.357 -3.460 0.907) 3.595 7.782 ( 0.700 -1.516 -0.840) 1.869 7.814 ( 0.450 1.421 -3.366) 3.681 7.872 ( -1.973 -1.820 3.184) 4.165 7.918 ( -2.319 -1.225 -1.390) 2.969 8.001 ( -1.616 -1.876 2.027) 3.200 8.050 ( -2.929 -3.940 -0.174) 4.912 8.067 ( -2.225 -4.508 5.764) 7.648 8.175 ( -5.009 -2.785 -1.036) 5.824 8.208 ( 0.714 6.023 2.048) 6.402 8.256 ( 0.216 2.495 -0.749) 2.614 8.285 ( -3.144 4.168 0.742) 5.273 8.343 ( -3.488 0.198 -3.319) 4.819 8.449 ( 3.075 -2.767 1.542) 4.415 8.468 ( -1.018 -1.887 -0.774) 2.279 8.503 ( 0.843 -1.407 -1.568) 2.269 8.563 ( -4.365 -2.505 -6.028) 7.853 8.759 ( -5.513 7.467 5.037) 10.560 8.847 ( -5.164 9.434 -4.235) 11.559 8.955 ( -3.548 -2.457 7.290) 8.472 9.088 ( -4.310 -2.936 -6.862) 8.619 13.409 ( 1.389 0.814 2.271) 2.784 13.459 ( 0.786 0.411 -1.986) 2.176 13.470 ( 0.396 -1.562 1.577) 2.255 13.510 ( 0.028 -1.604 -1.911) 2.495 13.631 ( -1.680 2.218 1.893) 3.365 13.647 ( -2.099 0.836 1.930) 2.972 13.670 ( -1.062 0.768 0.566) 1.428 13.734 ( -2.474 -1.108 -3.689) 4.578 13.915 ( -1.466 -0.681 2.326) 2.833 13.928 ( 1.798 -0.467 2.647) 3.234 13.953 ( -0.716 -0.800 -0.336) 1.125 13.970 ( -0.774 0.645 -2.107) 2.335 14.067 ( -2.497 2.008 4.350) 5.403 14.136 ( -3.590 3.257 -2.625) 5.513 14.262 ( -3.143 -5.455 -0.507) 6.315 14.302 ( -3.209 -3.284 -3.985) 6.080 15.513 ( -1.170 -0.064 1.681) 2.049 15.542 ( -1.429 1.137 -1.167) 2.167 15.571 ( -2.248 -0.891 4.227) 4.870 15.601 ( -1.535 -0.940 2.640) 3.195 15.640 ( -0.169 -1.314 -1.685) 2.143 15.682 ( -3.304 2.521 -5.286) 6.724 15.767 ( -2.883 -4.922 5.706) 8.068 15.858 ( -3.419 -1.355 -3.610) 5.153 15.993 ( -2.187 4.261 0.674) 4.837 16.007 ( -1.635 3.526 -0.932) 3.997 16.066 ( -4.198 4.245 1.076) 6.066 16.090 ( -5.224 2.356 -1.453) 5.912 16.127 ( -3.747 -0.357 0.103) 3.765 16.133 ( -4.165 0.424 -0.615) 4.232 16.268 ( -3.635 -3.271 2.063) 5.308 16.296 ( -5.378 -2.689 -0.661) 6.049 16.400 ( 5.890 0.506 0.806) 5.966 16.428 ( 5.630 1.123 -1.909) 6.050 16.484 ( 3.597 1.449 1.149) 4.045 16.503 ( 3.751 1.705 -0.849) 4.207 16.591 ( 5.498 -1.868 3.078) 6.572 16.642 ( 4.303 -3.292 0.132) 5.420 16.644 ( 4.393 -2.828 -0.738) 5.277 16.679 ( 4.517 -4.470 -1.836) 6.615 16.845 ( 2.523 3.748 0.283) 4.527 16.847 ( 1.811 3.698 -0.002) 4.118 16.948 ( 2.087 5.136 6.169) 8.294 17.028 ( 4.233 -3.827 0.371) 5.718 17.034 ( 4.454 -2.926 0.066) 5.329 17.094 ( 1.771 6.539 -6.575) 9.441 17.195 ( 2.876 -3.037 1.421) 4.417 17.265 ( 1.532 -0.404 -4.507) 4.778 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 6.687 9.705 5.029) 12.814 0.907 ( 3.679 7.833 -3.246) 9.243 0.931 ( 4.030 7.397 2.159) 8.695 1.010 ( 1.133 7.397 -2.645) 7.937 1.123 ( 7.453 -0.736 4.237) 8.604 1.216 ( 6.458 0.080 -2.489) 6.921 1.240 ( -2.423 0.667 4.894) 5.502 1.297 ( 3.608 2.002 1.636) 4.439 1.311 ( 1.686 -0.714 -2.938) 3.462 1.328 ( 5.623 -1.688 3.404) 6.786 1.361 ( 3.416 -0.206 -3.530) 4.916 1.393 ( 5.667 -0.518 3.274) 6.565 1.403 ( 2.481 0.022 -3.290) 4.121 1.445 ( 0.781 3.067 1.834) 3.658 1.458 ( 2.778 1.108 -1.765) 3.473 1.469 ( 4.868 1.699 -2.603) 5.776 1.505 ( 0.612 1.078 -0.833) 1.494 1.514 ( 1.684 1.265 -1.739) 2.731 1.612 ( -2.795 -1.762 3.518) 4.826 1.654 ( -3.606 1.083 -0.060) 3.765 1.665 ( -1.150 2.111 2.674) 3.596 1.697 ( -1.186 0.323 -1.264) 1.763 1.706 ( -2.050 1.831 2.575) 3.766 1.753 ( 0.002 0.160 -1.823) 1.830 1.787 ( 3.815 3.382 -0.101) 5.099 1.805 ( 2.753 2.454 -1.149) 3.863 1.814 ( 2.369 -0.297 3.257) 4.038 1.867 ( -2.388 -1.129 -0.893) 2.788 1.897 ( 0.949 -0.802 0.410) 1.308 1.914 ( 2.809 -1.661 2.290) 3.986 1.965 ( 1.335 -1.381 -0.959) 2.147 1.980 ( -0.118 -0.523 -3.639) 3.679 1.992 ( -0.661 -0.752 -0.331) 1.054 2.018 ( 0.529 -1.686 -1.934) 2.620 2.080 ( 0.321 -2.090 -0.320) 2.139 2.094 ( 0.411 1.134 -0.995) 1.564 2.151 ( 1.597 -0.787 1.477) 2.313 2.157 ( -0.005 -3.097 4.002) 5.061 2.171 ( 3.577 0.512 2.265) 4.265 2.198 ( 1.670 -1.147 -2.052) 2.884 2.233 ( 0.630 -2.200 -0.388) 2.321 2.248 ( 3.075 -0.231 -5.302) 6.134 2.286 ( 4.202 -0.160 2.179) 4.737 2.311 ( 0.777 1.330 2.370) 2.826 2.325 ( 2.545 -0.085 -1.202) 2.816 2.346 ( 1.151 -1.634 1.304) 2.386 2.375 ( -1.507 1.737 -1.793) 2.916 2.403 ( 4.809 0.725 -3.316) 5.886 2.470 ( 0.896 -1.027 -2.032) 2.447 2.480 ( -0.037 -0.471 1.535) 1.606 2.487 ( 1.803 -0.390 -1.430) 2.334 2.503 ( -0.312 -1.195 0.643) 1.393 2.515 ( 1.417 -0.295 0.145) 1.455 2.544 ( -0.323 -0.978 -2.655) 2.848 2.589 ( -0.089 -2.131 -0.342) 2.160 2.604 ( -0.363 -0.501 -2.323) 2.404 2.667 ( -2.803 -0.470 3.415) 4.443 2.706 ( -1.678 -1.814 1.451) 2.866 2.734 ( -1.180 -1.869 -0.130) 2.214 2.752 ( -2.959 -1.412 -0.459) 3.311 2.833 ( 1.182 1.136 -0.671) 1.771 2.842 ( 1.229 -1.143 -0.238) 1.695 2.878 ( 0.572 0.573 0.852) 1.175 2.920 ( -1.233 -0.148 -4.568) 4.734 2.969 ( -1.567 -0.103 2.231) 2.729 3.009 ( -1.886 0.759 -2.082) 2.910 3.035 ( -1.224 -0.404 2.053) 2.424 3.089 ( -1.591 -2.117 -3.272) 4.209 3.177 ( 0.746 -0.472 3.017) 3.144 3.211 ( -0.610 0.629 -0.437) 0.980 3.226 ( -0.326 -0.504 2.935) 2.996 3.268 ( -2.861 -1.504 -0.953) 3.370 4.152 ( 2.633 0.102 0.845) 2.767 4.170 ( 4.229 0.550 -0.839) 4.347 4.233 ( 0.998 -0.721 0.492) 1.326 4.250 ( 1.701 0.145 -1.313) 2.154 4.309 ( 1.571 0.593 4.260) 4.579 4.383 ( 2.690 0.341 -2.710) 3.834 4.407 ( -0.392 0.711 0.277) 0.858 4.421 ( 1.299 0.944 -0.694) 1.749 4.469 ( 3.569 2.468 1.138) 4.486 4.499 ( 2.215 1.595 -1.520) 3.124 4.591 ( 1.279 -2.831 0.628) 3.169 4.604 ( 0.639 -1.113 -0.155) 1.292 4.609 ( -0.363 -2.659 3.212) 4.185 4.645 ( -0.658 -1.029 0.372) 1.277 4.687 ( 0.327 -2.283 -1.346) 2.670 4.741 ( 0.245 -2.237 -3.196) 3.909 4.765 ( 2.214 -0.038 1.714) 2.800 4.840 ( 2.621 1.682 -4.815) 5.735 4.879 ( 3.094 0.013 1.180) 3.312 4.911 ( 2.752 -0.082 -2.244) 3.552 4.940 ( -1.653 1.649 3.904) 4.549 4.961 ( -0.048 0.227 1.139) 1.163 5.034 ( 1.012 -0.865 -1.964) 2.372 5.062 ( -1.192 0.666 -4.333) 4.544 5.400 ( 3.573 0.987 3.151) 4.865 5.451 ( 4.973 2.028 -2.039) 5.745 5.477 ( 6.383 -2.279 6.341) 9.281 5.555 ( 4.702 -2.244 -0.472) 5.231 5.569 ( 0.942 0.426 3.850) 3.986 5.609 ( 1.323 -0.372 -0.250) 1.397 5.627 ( -0.216 -0.657 -2.024) 2.139 5.632 ( -0.494 0.287 1.143) 1.278 5.659 ( -0.581 0.515 0.631) 1.001 5.683 ( -0.480 0.633 -2.186) 2.326 5.710 ( -1.543 0.264 2.077) 2.601 5.755 ( -1.655 0.213 -2.088) 2.673 5.843 ( -2.376 1.287 -0.999) 2.881 5.852 ( -2.704 1.384 -1.666) 3.465 5.974 ( -6.869 -1.157 2.418) 7.374 6.029 ( -3.666 -2.053 -2.824) 5.063 6.155 ( 3.145 0.502 3.006) 4.380 6.214 ( 1.508 -0.460 -2.561) 3.008 6.276 ( 2.047 -0.205 1.932) 2.822 6.334 ( -2.665 2.188 -2.759) 4.416 6.387 ( 1.058 1.973 -0.388) 2.272 6.397 ( -1.337 0.758 -0.489) 1.613 6.489 ( -2.689 -2.526 2.252) 4.322 6.535 ( -2.680 -0.372 -2.996) 4.037 6.643 ( 2.301 1.249 2.854) 3.873 6.684 ( 0.980 0.837 2.404) 2.728 6.697 ( 1.747 2.140 -2.025) 3.425 6.727 ( 1.923 0.952 -1.742) 2.764 6.752 ( 2.647 0.230 0.004) 2.657 6.788 ( 1.023 1.040 -3.675) 3.954 6.839 ( -0.125 2.103 0.591) 2.188 6.887 ( -1.878 3.048 -4.175) 5.500 7.089 ( 2.413 -0.465 0.523) 2.512 7.101 ( 1.342 0.196 -0.732) 1.542 7.131 ( 2.908 1.426 2.658) 4.190 7.162 ( -0.880 1.757 -0.877) 2.151 7.206 ( 3.295 3.000 1.312) 4.645 7.228 ( 3.998 1.275 -0.790) 4.270 7.235 ( 4.113 1.901 1.760) 4.861 7.272 ( 3.389 1.608 -1.014) 3.886 7.366 ( 2.325 -0.898 1.736) 3.037 7.384 ( -0.230 -1.309 0.821) 1.562 7.428 ( -4.359 -1.444 0.560) 4.626 7.441 ( -5.907 -1.632 -1.192) 6.244 7.459 ( 4.425 -3.093 -0.716) 5.446 7.468 ( 1.970 -1.555 -0.236) 2.521 7.516 ( 1.057 0.900 2.191) 2.594 7.556 ( 2.081 -1.897 -0.724) 2.908 7.621 ( -1.232 -0.552 3.386) 3.645 7.672 ( 0.200 -1.502 -0.604) 1.631 7.694 ( -0.221 0.041 1.708) 1.723 7.731 ( -1.572 -5.742 1.429) 6.122 7.750 ( -4.391 -1.187 1.847) 4.909 7.788 ( -3.767 1.031 -2.690) 4.743 7.856 ( -0.917 -2.801 1.180) 3.174 7.861 ( -1.765 0.862 0.660) 2.073 7.946 ( -3.696 -3.554 3.231) 6.060 7.975 ( -3.831 -3.342 2.814) 5.811 7.999 ( -4.705 -5.438 2.987) 7.787 8.051 ( -5.188 -2.399 0.197) 5.719 8.204 ( -1.428 1.276 1.166) 2.243 8.230 ( 0.796 4.859 2.481) 5.513 8.270 ( -2.261 -0.151 -5.519) 5.967 8.304 ( 0.836 4.298 -5.234) 6.824 8.411 ( -1.467 0.577 -0.806) 1.770 8.447 ( -4.069 -0.500 -3.595) 5.452 8.487 ( -2.201 1.707 2.002) 3.430 8.539 ( -0.652 0.174 -2.705) 2.788 8.679 ( -0.348 4.299 5.013) 6.613 8.769 ( -0.314 5.471 -4.156) 6.878 8.860 ( -5.401 -2.585 6.063) 8.522 8.974 ( -6.421 -2.953 -5.894) 9.203 13.448 ( 2.389 0.629 1.719) 3.010 13.477 ( 1.429 0.093 0.527) 1.526 13.498 ( 1.895 -0.197 -1.173) 2.237 13.521 ( 0.956 -0.596 -1.818) 2.139 13.583 ( -2.365 0.759 1.907) 3.131 13.603 ( -1.966 1.067 0.836) 2.388 13.633 ( -2.448 -0.022 1.139) 2.700 13.679 ( -3.240 -0.371 -2.051) 3.852 13.892 ( -0.132 -0.057 1.634) 1.641 13.923 ( -0.895 -0.295 -1.616) 1.870 13.965 ( -0.998 -0.284 1.665) 1.961 13.982 ( 1.392 -0.487 0.167) 1.484 14.025 ( 0.082 0.724 1.505) 1.672 14.059 ( -2.183 1.971 -1.607) 3.352 14.178 ( -4.725 -4.616 0.060) 6.606 14.215 ( -5.037 -2.657 -3.154) 6.510 15.487 ( -1.106 -0.254 1.513) 1.891 15.508 ( -2.626 -0.379 3.510) 4.400 15.518 ( -0.697 0.613 -1.523) 1.784 15.563 ( -2.587 -0.320 -1.440) 2.978 15.632 ( 0.305 0.172 0.719) 0.799 15.666 ( 1.045 -0.615 -1.782) 2.156 15.702 ( -2.860 -1.957 4.504) 5.683 15.778 ( -3.980 -0.882 -2.819) 4.956 15.966 ( -0.480 3.071 0.804) 3.210 15.982 ( -0.780 2.757 -0.822) 2.981 16.006 ( -2.182 4.224 0.256) 4.762 16.017 ( -2.104 4.027 -0.871) 4.627 16.078 ( -0.832 -0.634 0.077) 1.048 16.086 ( -0.372 -0.741 -0.687) 1.077 16.170 ( -4.714 -2.271 0.984) 5.324 16.186 ( -4.752 -1.867 -0.786) 5.166 16.503 ( 3.582 0.983 1.085) 3.870 16.529 ( 3.395 1.616 -1.444) 4.028 16.538 ( 1.605 1.576 0.929) 2.434 16.559 ( 1.637 1.979 -1.123) 2.803 16.685 ( 3.056 -4.043 1.955) 5.432 16.703 ( 1.787 -3.632 1.872) 4.459 16.719 ( 2.364 -4.486 -1.549) 5.302 16.739 ( 1.477 -4.362 -1.763) 4.931 16.907 ( 3.930 5.734 1.377) 7.087 16.933 ( 5.702 5.510 -1.186) 8.018 16.993 ( 1.411 5.089 5.401) 7.554 17.096 ( 0.031 3.020 -4.127) 5.114 17.130 ( 4.971 -3.463 1.293) 6.194 17.155 ( 4.838 -1.811 -1.619) 5.413 17.233 ( 0.516 -3.157 0.779) 3.293 17.282 ( -0.314 -1.227 -3.279) 3.515 ======================= Grid point 80 (32/36) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -3.713 8.476 2.120) 9.493 0.924 ( 3.713 8.476 2.120) 9.493 0.993 ( -1.918 8.265 -4.646) 9.674 0.993 ( 1.918 8.265 -4.646) 9.674 1.202 ( -1.781 0.424 6.222) 6.485 1.202 ( 1.781 0.424 6.222) 6.485 1.284 ( -1.126 0.732 -1.316) 1.881 1.284 ( 1.126 0.732 -1.316) 1.881 1.377 ( -3.906 -2.174 3.742) 5.830 1.377 ( 3.906 -2.174 3.742) 5.830 1.409 ( -0.803 -0.504 1.224) 1.548 1.409 ( 0.803 -0.504 1.224) 1.548 1.467 ( -2.934 0.187 1.373) 3.245 1.467 ( 2.934 0.187 1.373) 3.245 1.498 ( -0.718 0.932 0.366) 1.233 1.498 ( 0.718 0.932 0.366) 1.233 1.533 ( -5.025 1.196 -3.107) 6.028 1.533 ( 5.025 1.196 -3.107) 6.028 1.555 ( -0.118 0.696 -3.208) 3.285 1.555 ( 0.118 0.696 -3.208) 3.285 1.666 ( -0.965 3.173 1.094) 3.492 1.666 ( 0.965 3.173 1.094) 3.492 1.717 ( -2.022 1.746 -3.998) 4.809 1.717 ( 2.022 1.746 -3.998) 4.809 1.828 ( -1.599 -1.288 2.331) 3.106 1.828 ( 1.599 -1.288 2.331) 3.106 1.857 ( -1.050 -0.797 -0.920) 1.608 1.857 ( 1.050 -0.797 -0.920) 1.608 1.946 ( -1.485 -0.788 2.683) 3.166 1.946 ( 1.485 -0.788 2.683) 3.166 1.974 ( -1.534 -0.349 -1.202) 1.980 1.974 ( 1.534 -0.349 -1.202) 1.980 2.010 ( -2.642 -0.584 0.255) 2.718 2.010 ( 2.642 -0.584 0.255) 2.718 2.075 ( -1.163 -1.157 -3.672) 4.021 2.075 ( 1.163 -1.157 -3.672) 4.021 2.182 ( -1.013 0.366 2.856) 3.052 2.182 ( 1.013 0.366 2.856) 3.052 2.217 ( -1.492 -0.447 1.672) 2.285 2.217 ( 1.492 -0.447 1.672) 2.285 2.252 ( -5.266 -0.800 1.655) 5.578 2.252 ( 5.267 -0.800 1.655) 5.578 2.285 ( -3.441 -0.499 -3.334) 4.817 2.285 ( 3.441 -0.499 -3.334) 4.817 2.379 ( -1.760 0.368 -0.728) 1.940 2.379 ( 1.760 0.368 -0.728) 1.940 2.409 ( -4.232 -3.113 -2.386) 5.770 2.409 ( 4.232 -3.113 -2.386) 5.770 2.488 ( -2.408 -0.610 3.630) 4.398 2.488 ( 2.408 -0.610 3.630) 4.398 2.524 ( -0.909 1.176 0.050) 1.487 2.524 ( 0.909 1.176 0.050) 1.487 2.577 ( -4.840 0.053 -1.420) 5.044 2.577 ( 4.840 0.053 -1.420) 5.044 2.606 ( -3.632 -1.491 -4.817) 6.214 2.606 ( 3.632 -1.491 -4.817) 6.214 2.645 ( -2.299 -1.797 2.207) 3.659 2.645 ( 2.299 -1.797 2.207) 3.659 2.679 ( -0.207 -0.849 -0.927) 1.274 2.679 ( 0.207 -0.849 -0.927) 1.274 2.835 ( -0.568 0.542 3.172) 3.268 2.835 ( 0.568 0.542 3.172) 3.268 2.897 ( -1.473 0.344 -3.055) 3.409 2.897 ( 1.473 0.344 -3.055) 3.409 2.994 ( -2.577 -0.041 1.813) 3.151 2.994 ( 2.577 -0.041 1.813) 3.151 3.045 ( -3.223 -1.452 -3.404) 4.907 3.045 ( 3.223 -1.452 -3.404) 4.907 3.203 ( -1.845 -0.798 1.850) 2.733 3.203 ( 1.845 -0.798 1.850) 2.733 3.215 ( -1.032 -0.329 0.401) 1.155 3.215 ( 1.032 -0.329 0.401) 1.155 4.202 ( -2.233 0.014 2.195) 3.131 4.202 ( 2.233 0.014 2.195) 3.131 4.244 ( -2.172 0.277 -2.160) 3.076 4.244 ( 2.172 0.277 -2.160) 3.076 4.370 ( -3.240 0.581 2.842) 4.349 4.370 ( 3.240 0.581 2.842) 4.349 4.418 ( -1.304 -0.309 -2.197) 2.573 4.418 ( 1.304 -0.309 -2.197) 2.573 4.541 ( -2.010 0.591 1.381) 2.509 4.541 ( 2.010 0.591 1.381) 2.509 4.572 ( -2.033 2.611 -1.916) 3.824 4.572 ( 2.033 2.611 -1.916) 3.824 4.645 ( -1.363 -2.968 3.005) 4.438 4.645 ( 1.363 -2.968 3.005) 4.438 4.723 ( -2.098 -3.565 -4.495) 6.109 4.723 ( 2.098 -3.565 -4.495) 6.109 4.844 ( -5.251 0.931 4.268) 6.830 4.844 ( 5.251 0.931 4.268) 6.830 4.916 ( -3.255 1.818 -2.564) 4.525 4.916 ( 3.255 1.818 -2.564) 4.525 4.968 ( -2.550 -1.498 -0.632) 3.024 4.968 ( 2.550 -1.498 -0.632) 3.024 5.000 ( -1.809 -0.195 -3.173) 3.657 5.000 ( 1.809 -0.195 -3.173) 3.657 5.509 ( -4.970 0.698 4.621) 6.823 5.509 ( 4.970 0.698 4.621) 6.823 5.560 ( -3.245 1.928 0.313) 3.787 5.560 ( 3.245 1.928 0.313) 3.787 5.607 ( -2.417 -0.423 3.295) 4.108 5.607 ( 2.417 -0.423 3.295) 4.108 5.636 ( -1.361 -0.493 -0.481) 1.525 5.636 ( 1.361 -0.493 -0.481) 1.525 5.701 ( -1.584 -0.585 1.182) 2.061 5.701 ( 1.584 -0.585 1.182) 2.061 5.746 ( -3.649 0.271 -2.594) 4.485 5.746 ( 3.649 0.271 -2.594) 4.485 5.785 ( -6.793 -0.549 1.761) 7.039 5.785 ( 6.793 -0.549 1.761) 7.039 5.871 ( -8.474 -1.041 -5.935) 10.398 5.871 ( 8.474 -1.041 -5.935) 10.398 6.244 ( -4.225 1.553 1.742) 4.827 6.244 ( 4.225 1.553 1.742) 4.827 6.273 ( -2.133 0.406 -1.380) 2.572 6.273 ( 2.133 0.406 -1.380) 2.572 6.404 ( -2.533 -0.795 3.016) 4.018 6.404 ( 2.533 -0.795 3.016) 4.018 6.466 ( -3.231 0.913 -3.352) 4.744 6.466 ( 3.231 0.913 -3.352) 4.744 6.683 ( -1.220 0.788 2.579) 2.960 6.683 ( 1.220 0.788 2.579) 2.960 6.737 ( -1.217 1.772 -2.558) 3.341 6.737 ( 1.217 1.772 -2.558) 3.341 6.795 ( -1.301 1.515 0.929) 2.202 6.795 ( 1.301 1.515 0.929) 2.202 6.842 ( -1.680 1.317 -4.394) 4.885 6.842 ( 1.680 1.317 -4.394) 4.885 7.128 ( -1.430 1.404 0.606) 2.094 7.128 ( 1.430 1.404 0.606) 2.094 7.139 ( -1.375 1.575 -0.512) 2.153 7.139 ( 1.375 1.575 -0.512) 2.153 7.277 ( -5.548 -0.742 0.802) 5.654 7.277 ( 5.548 -0.742 0.802) 5.654 7.292 ( -5.883 -0.501 -0.761) 5.953 7.292 ( 5.883 -0.501 -0.761) 5.953 7.386 ( -3.382 0.598 2.023) 3.986 7.386 ( 3.382 0.598 2.023) 3.986 7.403 ( -5.265 1.840 0.148) 5.579 7.403 ( 5.265 1.840 0.148) 5.579 7.527 ( -3.355 -0.894 2.151) 4.085 7.527 ( 3.355 -0.894 2.151) 4.085 7.546 ( -2.336 0.196 0.045) 2.345 7.546 ( 2.336 0.196 0.045) 2.345 7.637 ( -2.842 -0.111 2.608) 3.859 7.637 ( 2.842 -0.111 2.608) 3.859 7.675 ( -1.815 -0.683 -0.825) 2.108 7.675 ( 1.815 -0.683 -0.825) 2.108 7.755 ( -6.078 -5.041 2.600) 8.313 7.755 ( 6.078 -5.041 2.600) 8.313 7.779 ( -4.313 -3.522 0.080) 5.569 7.779 ( 4.313 -3.522 0.080) 5.569 7.929 ( -1.214 -2.967 4.094) 5.200 7.929 ( 1.214 -2.967 4.094) 5.200 7.972 ( -2.912 -4.036 -0.662) 5.021 7.972 ( 2.912 -4.036 -0.662) 5.021 8.217 ( -1.892 1.171 0.161) 2.231 8.217 ( 1.892 1.171 0.161) 2.231 8.272 ( -2.213 -0.227 -5.750) 6.165 8.272 ( 2.213 -0.227 -5.750) 6.165 8.424 ( -2.237 4.867 1.039) 5.456 8.424 ( 2.237 4.867 1.039) 5.456 8.463 ( -4.862 5.606 -2.598) 7.862 8.463 ( 4.862 5.606 -2.598) 7.862 8.744 ( -5.105 -1.711 5.626) 7.787 8.744 ( 5.105 -1.711 5.626) 7.787 8.845 ( -5.773 -1.178 -5.116) 7.803 8.845 ( 5.773 -1.178 -5.116) 7.803 13.497 ( -1.657 0.206 1.017) 1.955 13.497 ( 1.657 0.206 1.017) 1.955 13.517 ( -0.415 0.533 -0.728) 0.993 13.517 ( 0.415 0.533 -0.728) 0.993 13.580 ( -1.910 -0.119 1.362) 2.349 13.580 ( 1.910 -0.119 1.362) 2.349 13.608 ( -2.901 0.165 -1.009) 3.076 13.608 ( 2.901 0.165 -1.009) 3.076 13.915 ( -2.041 0.825 1.638) 2.744 13.915 ( 2.041 0.825 1.638) 2.744 13.944 ( -2.489 0.455 -1.433) 2.908 13.944 ( 2.489 0.455 -1.433) 2.908 14.083 ( -4.313 -2.587 0.762) 5.087 14.083 ( 4.313 -2.587 0.762) 5.087 14.110 ( -4.799 -1.699 -1.925) 5.442 14.110 ( 4.799 -1.699 -1.925) 5.442 15.478 ( -0.390 -0.171 2.274) 2.314 15.478 ( 0.390 -0.171 2.274) 2.314 15.522 ( -1.193 0.082 -2.177) 2.484 15.522 ( 1.193 0.082 -2.177) 2.484 15.653 ( -1.675 -0.701 3.172) 3.655 15.653 ( 1.675 -0.701 3.172) 3.655 15.708 ( -2.742 -0.792 -2.247) 3.633 15.708 ( 2.742 -0.792 -2.247) 3.633 15.969 ( -0.734 3.343 0.908) 3.541 15.969 ( 0.734 3.343 0.908) 3.541 15.988 ( -0.727 3.322 -1.080) 3.567 15.988 ( 0.727 3.322 -1.080) 3.567 16.095 ( -2.232 -1.396 0.661) 2.714 16.095 ( 2.232 -1.396 0.661) 2.714 16.111 ( -2.439 -1.092 -1.078) 2.881 16.111 ( 2.439 -1.092 -1.078) 2.881 16.546 ( -0.770 1.378 1.124) 1.938 16.546 ( 0.770 1.378 1.124) 1.938 16.569 ( -0.630 1.928 -1.350) 2.436 16.569 ( 0.630 1.928 -1.350) 2.436 16.717 ( -0.376 -3.970 1.697) 4.333 16.717 ( 0.376 -3.970 1.697) 4.333 16.747 ( -0.546 -4.309 -1.433) 4.573 16.747 ( 0.546 -4.309 -1.433) 4.573 16.979 ( -2.378 5.459 3.674) 6.996 16.979 ( 2.378 5.459 3.674) 6.996 17.048 ( -4.386 5.064 -3.344) 7.488 17.048 ( 4.386 5.064 -3.344) 7.488 17.211 ( -2.666 -3.705 1.386) 4.770 17.211 ( 2.666 -3.705 1.386) 4.770 17.245 ( -3.321 -2.281 -1.988) 4.493 17.245 ( 3.321 -2.281 -1.988) 4.493 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 -8.944 9.553) 13.087 0.757 ( 0.000 8.944 9.553) 13.087 0.786 ( 0.000 -4.042 10.906) 11.631 0.786 ( 0.000 4.042 10.906) 11.631 0.932 ( 0.000 -2.984 -9.097) 9.574 0.932 ( 0.000 2.984 -9.097) 9.574 0.977 ( 0.000 -0.346 -9.047) 9.053 0.977 ( 0.000 0.346 -9.047) 9.053 1.211 ( 0.000 -7.990 3.454) 8.705 1.211 ( 0.000 7.990 3.454) 8.705 1.293 ( 0.000 -2.972 -5.269) 6.050 1.293 ( 0.000 2.972 -5.269) 6.050 1.454 ( 0.000 -8.700 1.521) 8.832 1.454 ( 0.000 8.700 1.521) 8.832 1.464 ( 0.000 -6.124 0.431) 6.139 1.464 ( 0.000 6.124 0.431) 6.139 1.506 ( 0.000 -2.950 1.584) 3.348 1.506 ( 0.000 2.950 1.584) 3.348 1.565 ( 0.000 -0.717 -2.986) 3.070 1.565 ( 0.000 0.717 -2.986) 3.070 1.632 ( 0.000 -0.016 2.267) 2.267 1.632 ( 0.000 0.016 2.267) 2.267 1.669 ( 0.000 -1.088 -0.834) 1.371 1.669 ( 0.000 1.088 -0.834) 1.371 1.742 ( 0.000 -7.747 5.029) 9.237 1.742 ( 0.000 7.747 5.029) 9.237 1.844 ( 0.000 -5.964 -1.213) 6.086 1.844 ( 0.000 5.964 -1.213) 6.086 1.895 ( 0.000 -3.704 3.440) 5.055 1.895 ( 0.000 3.704 3.440) 5.055 1.971 ( 0.000 -1.538 2.734) 3.137 1.971 ( 0.000 1.538 2.734) 3.137 2.034 ( 0.000 -1.579 -3.546) 3.882 2.034 ( 0.000 1.579 -3.546) 3.882 2.057 ( 0.000 -0.907 -5.323) 5.400 2.057 ( 0.000 0.907 -5.323) 5.400 2.100 ( 0.000 -0.689 -0.209) 0.720 2.100 ( 0.000 0.689 -0.209) 0.720 2.117 ( 0.000 -1.670 2.411) 2.933 2.117 ( 0.000 1.670 2.411) 2.933 2.170 ( 0.000 -4.370 1.578) 4.646 2.170 ( 0.000 4.370 1.578) 4.646 2.270 ( 0.000 -0.606 -4.329) 4.371 2.270 ( 0.000 0.606 -4.329) 4.371 2.331 ( 0.000 -1.231 0.752) 1.442 2.331 ( 0.000 1.231 0.752) 1.442 2.388 ( 0.000 -0.800 -4.486) 4.557 2.388 ( 0.000 0.800 -4.486) 4.557 2.444 ( 0.000 -3.464 2.569) 4.312 2.444 ( 0.000 3.464 2.569) 4.312 2.492 ( 0.000 -2.846 -2.478) 3.774 2.492 ( 0.000 2.846 -2.478) 3.774 2.609 ( 0.000 -2.294 1.724) 2.870 2.609 ( 0.000 2.294 1.724) 2.870 2.621 ( 0.000 -0.681 -0.020) 0.681 2.621 ( 0.000 0.681 -0.020) 0.681 2.695 ( 0.000 -1.060 3.554) 3.709 2.695 ( 0.000 1.060 3.554) 3.709 2.773 ( 0.000 -2.053 -1.965) 2.841 2.773 ( 0.000 2.053 -1.965) 2.841 2.831 ( 0.000 -2.851 -0.940) 3.002 2.831 ( 0.000 2.851 -0.940) 3.002 2.836 ( 0.000 -0.481 -0.944) 1.059 2.836 ( 0.000 0.481 -0.944) 1.059 3.047 ( 0.000 -1.644 -0.529) 1.727 3.047 ( 0.000 1.644 -0.529) 1.727 3.067 ( 0.000 -1.701 -1.971) 2.604 3.067 ( 0.000 1.701 -1.971) 2.604 3.227 ( 0.000 -1.533 4.585) 4.834 3.227 ( 0.000 1.533 4.585) 4.834 3.279 ( 0.000 -2.805 -1.030) 2.988 3.279 ( 0.000 2.805 -1.030) 2.988 4.076 ( 0.000 -2.505 1.174) 2.766 4.076 ( 0.000 2.505 1.174) 2.766 4.113 ( 0.000 -1.935 -2.746) 3.359 4.113 ( 0.000 1.935 -2.746) 3.359 4.337 ( 0.000 -1.695 2.597) 3.101 4.337 ( 0.000 1.695 2.597) 3.101 4.381 ( 0.000 -2.129 -2.333) 3.158 4.381 ( 0.000 2.129 -2.333) 3.158 4.435 ( 0.000 -2.734 2.920) 4.000 4.435 ( 0.000 2.734 2.920) 4.000 4.498 ( 0.000 -0.646 -3.665) 3.721 4.498 ( 0.000 0.646 -3.665) 3.721 4.685 ( 0.000 -1.427 1.094) 1.798 4.685 ( 0.000 1.427 1.094) 1.798 4.707 ( 0.000 -1.795 -1.160) 2.137 4.707 ( 0.000 1.795 -1.160) 2.137 4.819 ( 0.000 -3.337 2.841) 4.383 4.819 ( 0.000 3.337 2.841) 4.383 4.849 ( 0.000 -2.101 3.055) 3.708 4.849 ( 0.000 2.101 3.055) 3.708 4.866 ( 0.000 -3.037 0.749) 3.128 4.866 ( 0.000 3.037 0.749) 3.128 4.986 ( 0.000 -0.377 -7.992) 8.001 4.986 ( 0.000 0.377 -7.992) 8.001 5.340 ( 0.000 -0.853 2.669) 2.802 5.340 ( 0.000 0.853 2.669) 2.802 5.389 ( 0.000 -0.627 -2.654) 2.727 5.389 ( 0.000 0.627 -2.654) 2.727 5.633 ( 0.000 -0.192 2.828) 2.834 5.633 ( 0.000 0.192 2.828) 2.834 5.639 ( 0.000 -2.006 1.269) 2.373 5.639 ( 0.000 2.006 1.269) 2.373 5.728 ( 0.000 -1.106 2.477) 2.713 5.728 ( 0.000 1.106 2.477) 2.713 5.770 ( 0.000 -1.285 -0.419) 1.352 5.770 ( 0.000 1.285 -0.419) 1.352 5.834 ( 0.000 -0.943 -0.269) 0.980 5.834 ( 0.000 0.943 -0.269) 0.980 5.867 ( 0.000 -1.483 -3.060) 3.401 5.867 ( 0.000 1.483 -3.060) 3.401 6.204 ( 0.000 -3.044 3.968) 5.001 6.204 ( 0.000 3.044 3.968) 5.001 6.290 ( 0.000 -1.944 -5.090) 5.448 6.290 ( 0.000 1.944 -5.090) 5.448 6.445 ( 0.000 -2.789 3.122) 4.186 6.445 ( 0.000 2.789 3.122) 4.186 6.510 ( 0.000 -1.241 -3.919) 4.110 6.510 ( 0.000 1.241 -3.919) 4.110 6.654 ( 0.000 -1.354 2.423) 2.775 6.654 ( 0.000 1.354 2.423) 2.775 6.662 ( 0.000 -0.270 0.889) 0.929 6.662 ( 0.000 0.270 0.889) 0.929 6.774 ( 0.000 -2.634 3.204) 4.148 6.774 ( 0.000 2.634 3.204) 4.148 6.861 ( 0.000 -6.115 -5.580) 8.278 6.861 ( 0.000 6.115 -5.580) 8.278 7.011 ( 0.000 -0.561 4.381) 4.417 7.011 ( 0.000 0.561 4.381) 4.417 7.062 ( 0.000 -1.049 -1.438) 1.780 7.062 ( 0.000 1.049 -1.438) 1.780 7.219 ( 0.000 -0.601 -0.245) 0.649 7.219 ( 0.000 0.601 -0.245) 0.649 7.233 ( 0.000 -0.036 -1.628) 1.629 7.233 ( 0.000 0.036 -1.628) 1.629 7.374 ( 0.000 -3.066 1.126) 3.267 7.374 ( 0.000 3.066 1.126) 3.267 7.405 ( 0.000 -2.460 -1.858) 3.083 7.405 ( 0.000 2.460 -1.858) 3.083 7.499 ( 0.000 -1.700 3.254) 3.672 7.499 ( 0.000 1.700 3.254) 3.672 7.550 ( 0.000 -1.421 -2.160) 2.586 7.550 ( 0.000 1.421 -2.160) 2.586 7.679 ( 0.000 -4.498 5.990) 7.491 7.679 ( 0.000 4.498 5.990) 7.491 7.755 ( 0.000 -4.668 -0.228) 4.674 7.755 ( 0.000 4.668 -0.228) 4.674 7.800 ( 0.000 -5.978 -0.370) 5.989 7.800 ( 0.000 5.978 -0.370) 5.989 7.831 ( 0.000 -5.297 -2.157) 5.720 7.831 ( 0.000 5.297 -2.157) 5.720 8.030 ( 0.000 -2.282 4.481) 5.029 8.030 ( 0.000 2.282 4.481) 5.029 8.119 ( 0.000 -7.440 -3.893) 8.397 8.119 ( 0.000 7.440 -3.893) 8.397 8.313 ( 0.000 -5.045 0.874) 5.120 8.313 ( 0.000 5.045 0.874) 5.120 8.326 ( 0.000 -4.217 0.066) 4.218 8.326 ( 0.000 4.217 0.066) 4.218 8.448 ( 0.000 -5.150 1.818) 5.462 8.448 ( 0.000 5.150 1.818) 5.462 8.532 ( 0.000 -5.135 -5.552) 7.563 8.532 ( 0.000 5.135 -5.552) 7.563 8.931 ( 0.000 -4.312 6.714) 7.979 8.931 ( 0.000 4.312 6.714) 7.979 9.055 ( 0.000 -5.840 -6.717) 8.900 9.055 ( 0.000 5.840 -6.717) 8.900 13.422 ( 0.000 -2.011 2.651) 3.327 13.422 ( 0.000 2.011 2.651) 3.327 13.472 ( 0.000 -1.733 -2.322) 2.897 13.472 ( 0.000 1.733 -2.322) 2.897 13.686 ( 0.000 -0.120 1.223) 1.229 13.686 ( 0.000 0.120 1.223) 1.229 13.717 ( 0.000 -3.644 -1.678) 4.012 13.717 ( 0.000 3.644 -1.678) 4.012 13.916 ( 0.000 -0.477 3.826) 3.855 13.916 ( 0.000 0.477 3.826) 3.855 13.971 ( 0.000 -1.192 -0.915) 1.503 13.971 ( 0.000 1.192 -0.915) 1.503 14.177 ( 0.000 -6.013 2.052) 6.353 14.177 ( 0.000 6.013 2.052) 6.353 14.255 ( 0.000 -4.462 -4.779) 6.538 14.255 ( 0.000 4.462 -4.779) 6.538 15.545 ( 0.000 -1.341 3.045) 3.327 15.545 ( 0.000 1.341 3.045) 3.327 15.595 ( 0.000 -1.852 -1.473) 2.366 15.595 ( 0.000 1.852 -1.473) 2.366 15.683 ( 0.000 -4.084 6.291) 7.500 15.683 ( 0.000 4.084 6.291) 7.500 15.823 ( 0.000 -4.188 -7.906) 8.947 15.823 ( 0.000 4.188 -7.906) 8.947 16.118 ( 0.000 -4.557 1.285) 4.735 16.118 ( 0.000 4.557 1.285) 4.735 16.139 ( 0.000 -4.649 -0.937) 4.743 16.139 ( 0.000 4.649 -0.937) 4.743 16.210 ( 0.000 -0.088 1.221) 1.224 16.210 ( 0.000 0.088 1.221) 1.224 16.237 ( 0.000 -0.066 -1.799) 1.800 16.237 ( 0.000 0.066 -1.799) 1.800 16.416 ( 0.000 -0.077 1.178) 1.181 16.416 ( 0.000 0.077 1.178) 1.181 16.426 ( 0.000 -0.070 0.113) 0.133 16.426 ( 0.000 0.070 0.113) 0.133 16.521 ( 0.000 -0.572 3.268) 3.317 16.521 ( 0.000 0.572 3.268) 3.317 16.575 ( 0.000 -0.110 -2.658) 2.660 16.575 ( 0.000 0.110 -2.658) 2.660 16.890 ( 0.000 -4.474 0.776) 4.541 16.890 ( 0.000 4.474 0.776) 4.541 16.901 ( 0.000 -4.615 -0.375) 4.630 16.901 ( 0.000 4.615 -0.375) 4.630 17.055 ( 0.000 -6.278 7.083) 9.465 17.055 ( 0.000 6.278 7.083) 9.465 17.206 ( 0.000 -4.227 -9.117) 10.049 17.206 ( 0.000 4.227 -9.117) 10.049 ======================= Grid point 86 (34/36) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 3.294 0.000 10.186) 10.705 0.864 ( 9.388 0.000 8.549) 12.697 0.952 ( 1.664 -0.000 -8.849) 9.004 0.970 ( 11.924 -0.000 6.217) 13.448 1.003 ( 6.685 0.000 -5.743) 8.813 1.006 ( 15.937 0.000 5.778) 16.952 1.099 ( 7.445 -0.000 -7.487) 10.559 1.120 ( 12.542 0.000 -6.438) 14.098 1.194 ( 1.587 -0.000 3.925) 4.234 1.253 ( 2.556 0.000 3.436) 4.282 1.304 ( 2.444 -0.000 -7.293) 7.691 1.334 ( 2.257 0.000 -5.052) 5.534 1.428 ( -2.088 0.000 2.268) 3.083 1.453 ( -0.126 0.000 0.750) 0.760 1.475 ( 0.261 -0.000 1.677) 1.697 1.493 ( 1.430 0.000 -0.580) 1.543 1.513 ( 0.609 0.000 -0.754) 0.969 1.542 ( -1.089 -0.000 -2.676) 2.890 1.548 ( 3.571 0.000 2.700) 4.477 1.594 ( 1.241 0.000 -2.034) 2.383 1.673 ( 4.615 0.000 1.125) 4.750 1.678 ( 2.831 0.000 1.267) 3.101 1.705 ( 3.583 0.000 3.264) 4.847 1.742 ( 1.821 -0.000 1.392) 2.292 1.770 ( 1.643 -0.000 3.808) 4.147 1.774 ( 4.710 0.000 3.774) 6.036 1.817 ( -1.115 -0.000 3.326) 3.508 1.843 ( -0.464 0.000 -3.095) 3.129 1.883 ( 0.329 0.000 7.868) 7.875 1.919 ( -2.020 0.000 4.205) 4.665 1.962 ( -0.499 0.000 -4.527) 4.555 1.994 ( -0.418 0.000 2.447) 2.482 2.002 ( -0.743 -0.000 -5.079) 5.133 2.007 ( -3.450 0.000 -6.672) 7.511 2.043 ( -1.182 0.000 -1.831) 2.179 2.080 ( 2.385 0.000 -7.820) 8.176 2.086 ( 2.147 0.000 1.824) 2.817 2.107 ( 0.245 -0.000 3.658) 3.666 2.113 ( 2.350 0.000 -0.346) 2.376 2.138 ( 1.648 0.000 1.531) 2.250 2.180 ( 2.401 0.000 -2.876) 3.746 2.213 ( 2.502 -0.000 3.800) 4.550 2.223 ( -2.183 0.000 -3.961) 4.523 2.267 ( 0.441 0.000 -0.918) 1.018 2.351 ( 0.744 0.000 2.049) 2.180 2.362 ( -1.124 -0.000 -2.073) 2.359 2.378 ( 2.170 0.000 -3.939) 4.497 2.393 ( -1.091 0.000 4.175) 4.315 2.420 ( 1.536 -0.000 -4.832) 5.071 2.430 ( -1.882 0.000 3.293) 3.793 2.478 ( 0.480 -0.000 -4.683) 4.708 2.483 ( -1.287 0.000 -2.303) 2.638 2.549 ( -2.667 0.000 1.878) 3.262 2.567 ( -3.422 0.000 -0.385) 3.443 2.590 ( -2.747 -0.000 1.530) 3.144 2.623 ( -1.037 0.000 -1.932) 2.193 2.685 ( 0.318 0.000 5.666) 5.675 2.739 ( -2.281 0.000 2.207) 3.174 2.758 ( -1.083 0.000 -1.193) 1.612 2.762 ( 1.398 0.000 -0.416) 1.459 2.765 ( -1.172 -0.000 0.123) 1.178 2.821 ( 1.023 0.000 -4.464) 4.579 2.861 ( 1.108 0.000 1.738) 2.061 2.922 ( 2.175 0.000 -4.574) 5.065 3.013 ( -1.738 0.000 1.349) 2.200 3.051 ( -0.746 0.000 -1.646) 1.807 3.057 ( -0.806 -0.000 1.082) 1.349 3.078 ( -0.046 0.000 -1.766) 1.767 3.197 ( -2.056 0.000 4.991) 5.398 3.217 ( -0.544 0.000 4.025) 4.061 3.263 ( -0.667 0.000 -0.977) 1.183 3.267 ( -1.667 -0.000 -2.345) 2.877 4.091 ( 2.574 0.000 0.834) 2.705 4.120 ( 2.127 0.000 -2.124) 3.006 4.143 ( 4.319 0.000 1.689) 4.637 4.184 ( 4.562 0.000 -2.724) 5.313 4.315 ( -0.539 0.000 2.960) 3.009 4.364 ( -0.210 0.000 -2.184) 2.194 4.386 ( 3.133 0.000 1.828) 3.627 4.416 ( 2.313 0.000 -1.644) 2.837 4.435 ( 1.712 -0.000 1.488) 2.269 4.475 ( -0.421 0.000 -2.295) 2.333 4.481 ( 2.701 -0.000 2.665) 3.794 4.535 ( 1.874 0.000 -2.977) 3.518 4.647 ( -3.539 0.000 3.368) 4.885 4.673 ( -1.240 0.000 0.286) 1.272 4.686 ( -0.766 0.000 -1.045) 1.296 4.703 ( -1.089 0.000 -2.974) 3.167 4.759 ( -1.281 0.000 4.676) 4.848 4.837 ( 2.017 0.000 1.135) 2.315 4.862 ( 1.442 -0.000 -1.430) 2.031 4.866 ( -1.995 0.000 -5.776) 6.111 4.902 ( 3.926 0.000 2.498) 4.654 4.941 ( 3.825 0.000 5.928) 7.055 4.961 ( 3.152 0.000 -3.659) 4.829 5.060 ( 2.486 0.000 -6.485) 6.945 5.360 ( 2.174 0.000 2.565) 3.363 5.365 ( 1.811 0.000 3.086) 3.578 5.403 ( 2.070 0.000 -2.053) 2.916 5.422 ( 2.840 -0.000 -2.987) 4.122 5.591 ( -1.998 0.000 3.909) 4.390 5.611 ( -0.740 0.000 2.251) 2.369 5.638 ( -1.192 0.000 -1.366) 1.813 5.658 ( -0.631 0.000 -2.665) 2.739 5.692 ( -1.565 0.000 6.626) 6.809 5.708 ( -1.505 0.000 2.789) 3.169 5.763 ( -1.438 0.000 -2.726) 3.082 5.772 ( 0.151 0.000 -0.832) 0.846 5.858 ( 1.865 0.000 -0.733) 2.004 5.872 ( 1.801 0.000 -2.712) 3.255 5.953 ( 6.694 0.000 -0.192) 6.697 5.957 ( 5.751 0.000 -0.609) 5.783 6.153 ( -1.978 0.000 2.982) 3.578 6.225 ( -2.747 0.000 -4.593) 5.352 6.239 ( 0.851 0.000 4.662) 4.740 6.337 ( 1.647 0.000 -5.547) 5.787 6.430 ( -0.396 0.000 0.888) 0.972 6.453 ( -2.416 0.000 -1.240) 2.716 6.465 ( 0.386 -0.000 3.611) 3.631 6.543 ( 0.489 0.000 -4.742) 4.767 6.647 ( 0.027 0.000 5.471) 5.471 6.679 ( 1.440 0.000 0.964) 1.733 6.689 ( 2.261 0.000 0.038) 2.262 6.695 ( 2.480 0.000 1.158) 2.737 6.722 ( -1.458 0.000 0.220) 1.475 6.818 ( -1.662 0.000 -7.192) 7.382 6.851 ( 3.130 0.000 3.586) 4.760 6.927 ( 2.518 0.000 -4.737) 5.364 7.032 ( 1.508 0.000 2.782) 3.165 7.035 ( 4.255 0.000 4.537) 6.220 7.066 ( 0.984 0.000 -1.269) 1.606 7.084 ( 3.272 0.000 -1.523) 3.609 7.198 ( 0.490 0.000 0.754) 0.899 7.212 ( -1.374 0.000 4.133) 4.355 7.231 ( 1.746 0.000 -2.311) 2.897 7.292 ( 0.638 0.000 -3.659) 3.714 7.312 ( -1.728 0.000 0.965) 1.979 7.346 ( 0.372 0.000 -2.637) 2.663 7.446 ( -3.430 0.000 2.723) 4.380 7.459 ( 3.425 0.000 1.203) 3.630 7.478 ( 2.417 0.000 -0.730) 2.525 7.491 ( -2.789 -0.000 -2.189) 3.545 7.493 ( -1.979 0.000 3.396) 3.930 7.551 ( -3.377 0.000 -2.671) 4.306 7.621 ( -1.598 0.000 5.110) 5.354 7.680 ( -1.781 0.000 4.678) 5.005 7.703 ( -3.064 0.000 -2.830) 4.171 7.721 ( -2.666 0.000 0.791) 2.781 7.810 ( 0.274 0.000 0.257) 0.376 7.812 ( 0.669 -0.000 2.521) 2.608 7.832 ( 0.694 0.000 -1.721) 1.855 7.855 ( 0.380 0.000 -1.804) 1.844 7.998 ( -2.935 -0.000 4.474) 5.351 8.008 ( -2.289 0.000 4.378) 4.940 8.078 ( -4.679 -0.000 -2.095) 5.127 8.086 ( -2.833 0.000 -2.893) 4.049 8.294 ( -2.053 0.000 2.804) 3.475 8.304 ( -0.867 0.000 0.406) 0.957 8.323 ( 0.152 0.000 -1.478) 1.486 8.358 ( 1.094 0.000 -2.896) 3.096 8.414 ( -1.595 -0.000 2.265) 2.771 8.449 ( -0.040 0.000 0.798) 0.799 8.501 ( -2.027 -0.000 -5.465) 5.829 8.505 ( -2.014 0.000 -4.473) 4.905 8.878 ( -4.497 -0.000 6.878) 8.218 8.884 ( -4.435 0.000 6.680) 8.018 9.001 ( -4.721 -0.000 -6.372) 7.930 9.003 ( -4.732 0.000 -6.173) 7.778 13.427 ( 0.885 0.000 2.443) 2.598 13.438 ( 1.300 -0.000 2.439) 2.764 13.478 ( 0.702 0.000 -2.547) 2.642 13.482 ( 0.961 -0.000 -1.916) 2.143 13.653 ( -2.623 0.000 1.235) 2.899 13.670 ( -1.733 0.000 1.766) 2.474 13.686 ( -3.101 0.000 -1.913) 3.644 13.706 ( -0.729 -0.000 -1.663) 1.816 13.908 ( -1.365 0.000 2.861) 3.170 13.921 ( 1.518 0.000 3.676) 3.977 13.944 ( -1.918 0.000 -0.348) 1.950 13.976 ( 0.090 0.000 -0.930) 0.934 14.133 ( -3.397 -0.000 0.779) 3.485 14.160 ( -2.204 0.000 3.051) 3.764 14.190 ( -4.614 -0.000 -3.689) 5.907 14.245 ( -2.273 0.000 -4.902) 5.404 15.514 ( -1.606 0.000 2.358) 2.853 15.558 ( -0.880 -0.000 4.734) 4.815 15.558 ( -1.966 0.000 -1.808) 2.671 15.595 ( -3.007 0.000 5.104) 5.924 15.625 ( 0.779 0.000 -2.827) 2.932 15.714 ( -0.543 -0.000 6.664) 6.686 15.714 ( -5.375 0.000 -6.732) 8.614 15.839 ( -2.183 0.000 -6.084) 6.463 16.064 ( -2.808 -0.000 -0.252) 2.820 16.065 ( -3.416 -0.000 -0.367) 3.436 16.065 ( -3.221 0.000 0.734) 3.304 16.083 ( -3.870 0.000 -1.215) 4.056 16.167 ( -3.108 0.000 0.528) 3.153 16.173 ( -1.898 0.000 -0.164) 1.905 16.207 ( -5.232 0.000 2.762) 5.917 16.249 ( -5.697 0.000 -1.607) 5.919 16.406 ( 6.033 0.000 1.310) 6.174 16.440 ( 6.188 0.000 -2.172) 6.558 16.509 ( 4.051 0.000 1.618) 4.362 16.532 ( 4.648 0.000 -0.849) 4.725 16.562 ( 3.817 0.000 2.084) 4.349 16.601 ( 2.744 0.000 -2.060) 3.431 16.605 ( 4.223 0.000 1.967) 4.659 16.638 ( 3.488 0.000 -1.495) 3.795 16.924 ( 3.529 -0.000 1.094) 3.694 16.932 ( 3.214 -0.000 0.374) 3.236 16.939 ( 3.600 -0.000 -0.570) 3.645 16.939 ( 4.157 0.000 -0.301) 4.168 17.072 ( 1.833 -0.000 6.813) 7.055 17.091 ( 2.688 0.000 6.997) 7.496 17.213 ( 0.953 -0.000 -8.311) 8.365 17.237 ( 1.699 0.000 -8.505) 8.673 ======================= Grid point 88 (35/36) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 7.605 0.000 6.663) 10.111 1.014 ( 4.022 -0.000 -6.633) 7.757 1.033 ( 4.700 0.000 4.141) 6.264 1.109 ( 2.759 0.000 -4.684) 5.436 1.131 ( 5.423 -0.000 5.684) 7.856 1.209 ( 2.050 0.000 4.931) 5.340 1.218 ( 4.830 0.000 -1.703) 5.121 1.302 ( 3.218 0.000 -4.302) 5.373 1.317 ( 3.732 0.000 0.667) 3.791 1.352 ( 5.924 0.000 1.242) 6.053 1.363 ( 1.400 -0.000 5.392) 5.571 1.378 ( 2.334 0.000 -4.990) 5.509 1.395 ( 2.544 -0.000 -3.149) 4.048 1.476 ( -0.605 0.000 0.701) 0.926 1.490 ( 1.015 0.000 -1.495) 1.807 1.499 ( 3.353 -0.000 -4.366) 5.505 1.509 ( -0.810 0.000 -1.438) 1.651 1.531 ( 0.618 0.000 -1.899) 1.997 1.590 ( -2.099 -0.000 4.377) 4.855 1.636 ( 0.848 0.000 0.505) 0.987 1.712 ( 1.121 -0.000 1.027) 1.520 1.725 ( 0.811 -0.000 0.938) 1.240 1.739 ( 0.438 0.000 -0.265) 0.512 1.743 ( -1.824 0.000 -0.724) 1.962 1.815 ( 1.540 -0.004 2.420) 2.868 1.815 ( 2.268 0.004 4.637) 5.162 1.835 ( 0.042 0.000 0.822) 0.823 1.848 ( -4.392 -0.000 1.682) 4.704 1.888 ( 0.697 0.000 3.559) 3.627 1.900 ( 1.321 0.000 -0.461) 1.399 1.917 ( 4.551 0.000 4.446) 6.362 1.970 ( -1.225 0.000 0.891) 1.515 1.971 ( 0.103 -0.000 -5.021) 5.022 1.994 ( 1.412 -0.000 -7.008) 7.148 2.028 ( 0.546 0.000 1.380) 1.484 2.116 ( -1.806 0.000 0.050) 1.807 2.133 ( 1.382 0.000 0.406) 1.440 2.154 ( 1.648 0.000 -2.915) 3.349 2.189 ( 5.022 0.000 3.197) 5.954 2.191 ( 0.389 0.000 -3.309) 3.332 2.209 ( 0.437 0.000 -3.423) 3.450 2.247 ( 3.985 0.000 -3.026) 5.003 2.284 ( 1.483 0.000 0.445) 1.549 2.292 ( 5.183 0.000 4.554) 6.900 2.327 ( -0.619 0.000 0.885) 1.080 2.360 ( 0.696 0.000 2.361) 2.462 2.406 ( 1.127 0.000 -0.593) 1.273 2.424 ( 1.734 0.000 -0.752) 1.890 2.433 ( 1.787 -0.000 -3.610) 4.028 2.463 ( -2.831 -0.000 -4.396) 5.229 2.477 ( 3.400 0.000 0.193) 3.405 2.490 ( -0.103 0.000 1.730) 1.733 2.527 ( 1.357 0.000 -1.643) 2.131 2.533 ( 2.316 -0.000 -1.272) 2.642 2.542 ( -0.103 -0.000 0.622) 0.630 2.598 ( -0.956 0.000 -2.706) 2.870 2.672 ( -3.650 0.000 2.366) 4.350 2.685 ( -0.800 0.000 3.914) 3.995 2.713 ( -2.958 -0.000 -1.366) 3.258 2.732 ( -1.614 0.000 -0.992) 1.895 2.827 ( 2.075 0.000 0.247) 2.090 2.847 ( 1.985 0.000 -1.793) 2.675 2.882 ( -0.587 0.000 0.851) 1.034 2.916 ( -0.615 0.000 -3.664) 3.715 2.970 ( -1.309 0.000 2.376) 2.713 3.021 ( -2.206 0.000 -2.583) 3.397 3.030 ( -1.215 -0.000 1.636) 2.037 3.061 ( -1.494 0.000 -1.798) 2.337 3.174 ( 0.132 0.000 4.013) 4.015 3.217 ( -0.037 0.000 2.302) 2.302 3.228 ( -1.780 0.000 -1.702) 2.463 3.242 ( -1.841 -0.000 -0.199) 1.852 4.151 ( 2.683 0.000 1.375) 3.014 4.184 ( 3.801 0.000 -2.076) 4.331 4.217 ( 1.972 0.000 1.742) 2.631 4.255 ( 1.045 0.000 -2.194) 2.431 4.313 ( 1.653 0.000 3.568) 3.933 4.383 ( 1.354 0.000 -3.523) 3.774 4.435 ( -0.325 0.000 1.293) 1.333 4.448 ( -0.086 -0.000 0.014) 0.087 4.475 ( 2.888 0.000 3.133) 4.261 4.526 ( 5.082 0.000 -2.017) 5.468 4.544 ( 3.393 0.000 2.625) 4.290 4.575 ( 1.553 0.000 -0.283) 1.579 4.593 ( 0.323 0.000 1.662) 1.693 4.647 ( -1.102 0.000 -0.113) 1.108 4.673 ( -0.786 0.000 -2.537) 2.656 4.678 ( -0.900 -0.000 -5.829) 5.898 4.772 ( 2.267 0.000 3.401) 4.087 4.859 ( 2.227 0.000 -5.386) 5.828 4.885 ( 2.097 0.000 1.068) 2.353 4.908 ( 2.662 0.000 -0.990) 2.840 4.955 ( 0.565 0.000 2.922) 2.976 4.970 ( -1.649 0.000 4.520) 4.812 5.019 ( 0.697 0.000 -3.459) 3.528 5.069 ( -2.142 0.000 -5.416) 5.824 5.423 ( 4.309 0.000 4.329) 6.108 5.440 ( 6.666 -0.000 5.455) 8.613 5.484 ( 5.861 0.000 -2.076) 6.218 5.522 ( 6.315 -0.000 -2.363) 6.743 5.575 ( 0.916 0.000 2.830) 2.975 5.609 ( 0.389 0.000 -0.075) 0.396 5.620 ( -1.970 0.000 -1.143) 2.277 5.621 ( -0.026 -0.000 -2.061) 2.061 5.663 ( -0.687 0.000 5.845) 5.885 5.680 ( -0.952 0.000 2.570) 2.741 5.733 ( -1.174 0.000 -2.262) 2.549 5.758 ( -1.151 0.000 -3.391) 3.582 5.856 ( -3.145 0.000 -0.398) 3.170 5.871 ( -3.228 0.000 -2.043) 3.820 5.959 ( -6.765 0.000 2.006) 7.056 6.003 ( -3.261 0.000 -2.242) 3.957 6.162 ( 3.363 0.000 1.728) 3.781 6.208 ( 1.675 0.000 -3.153) 3.571 6.276 ( 2.995 0.000 3.659) 4.729 6.356 ( -1.538 0.000 -4.138) 4.415 6.406 ( -1.385 0.000 0.510) 1.476 6.420 ( -0.471 0.000 -0.646) 0.800 6.449 ( -2.011 0.000 3.642) 4.161 6.529 ( -1.873 0.000 -4.974) 5.315 6.662 ( 1.716 0.000 4.192) 4.530 6.698 ( 0.623 0.000 2.756) 2.826 6.718 ( 1.301 0.000 -0.602) 1.433 6.743 ( 2.349 -0.000 -1.817) 2.970 6.757 ( 3.314 0.000 -0.393) 3.337 6.809 ( 1.049 0.000 -5.522) 5.620 6.863 ( -1.278 0.000 2.166) 2.515 6.915 ( -2.927 0.000 -3.572) 4.618 7.082 ( 3.606 0.000 0.865) 3.708 7.102 ( 2.474 0.000 -1.243) 2.769 7.160 ( 1.877 0.000 4.090) 4.500 7.191 ( -1.483 0.000 -0.455) 1.552 7.219 ( 9.474 0.000 3.530) 10.110 7.261 ( 4.447 0.000 2.139) 4.935 7.291 ( 6.300 -0.000 -0.792) 6.350 7.296 ( 1.402 -0.000 -1.638) 2.157 7.353 ( 2.175 0.000 -1.831) 2.843 7.363 ( -1.194 0.000 -1.441) 1.872 7.369 ( -0.396 -0.000 1.625) 1.672 7.393 ( -3.617 0.000 -1.137) 3.792 7.440 ( -0.857 0.000 0.584) 1.037 7.453 ( -2.328 0.000 -0.776) 2.454 7.521 ( 1.660 0.000 2.079) 2.660 7.553 ( 2.532 0.000 -1.308) 2.850 7.604 ( -0.552 0.000 3.779) 3.819 7.652 ( 0.078 0.000 2.229) 2.230 7.666 ( -1.649 0.000 1.144) 2.007 7.668 ( -0.953 0.000 -2.386) 2.569 7.789 ( -4.087 0.000 1.876) 4.497 7.797 ( -3.054 0.000 1.798) 3.544 7.822 ( -3.766 0.000 -1.815) 4.181 7.827 ( -3.431 -0.000 -1.065) 3.593 7.904 ( -4.514 -0.000 5.575) 7.173 7.948 ( -2.941 0.000 5.434) 6.179 7.965 ( -4.141 0.000 0.027) 4.141 8.006 ( -4.660 -0.000 -0.091) 4.661 8.239 ( -2.101 -0.000 0.725) 2.222 8.275 ( -2.009 0.000 -1.295) 2.390 8.293 ( -2.785 0.000 -4.193) 5.033 8.311 ( -4.114 -0.000 -5.703) 7.032 8.439 ( 2.771 0.000 2.346) 3.630 8.468 ( 1.487 -0.000 0.524) 1.576 8.497 ( 1.697 0.000 -2.231) 2.803 8.497 ( 1.721 -0.000 -3.573) 3.966 8.777 ( -4.694 -0.000 6.601) 8.099 8.779 ( -4.997 0.000 6.591) 8.271 8.892 ( -5.275 -0.000 -5.605) 7.697 8.892 ( -5.171 0.000 -5.761) 7.741 13.458 ( 2.123 0.000 1.818) 2.795 13.474 ( 2.116 0.000 1.930) 2.864 13.500 ( 1.353 0.000 -2.146) 2.537 13.512 ( 1.855 0.000 -1.809) 2.591 13.593 ( -2.813 0.000 1.713) 3.294 13.624 ( -2.435 -0.000 -1.425) 2.821 13.626 ( -2.497 0.000 2.453) 3.500 13.673 ( -2.814 0.000 -1.975) 3.438 13.891 ( 0.540 0.000 1.681) 1.765 13.915 ( -0.277 0.000 -0.726) 0.777 13.958 ( 0.465 0.000 1.724) 1.786 13.984 ( 1.350 0.000 -0.196) 1.365 14.055 ( -3.684 0.000 0.162) 3.688 14.091 ( -3.936 -0.000 -2.488) 4.656 14.102 ( -3.031 0.000 3.199) 4.407 14.174 ( -4.325 0.000 -3.829) 5.776 15.485 ( -1.069 0.000 1.940) 2.215 15.504 ( -2.473 0.000 4.220) 4.891 15.524 ( -1.061 0.000 -1.729) 2.029 15.559 ( -2.070 0.000 0.003) 2.070 15.635 ( -0.157 0.000 -1.081) 1.092 15.661 ( 0.775 0.000 -2.702) 2.811 15.680 ( -2.052 0.000 4.882) 5.296 15.767 ( -3.943 0.000 -3.769) 5.454 16.021 ( -1.093 -0.000 0.393) 1.162 16.025 ( -0.322 0.000 0.667) 0.741 16.030 ( -1.009 -0.000 -0.561) 1.154 16.042 ( -0.179 0.000 -1.106) 1.120 16.101 ( -3.978 -0.000 1.987) 4.446 16.105 ( -2.717 0.000 1.074) 2.922 16.126 ( -2.403 -0.000 -1.321) 2.742 16.139 ( -4.546 0.000 -1.984) 4.960 16.516 ( 4.033 0.000 1.524) 4.312 16.553 ( 3.986 0.000 -2.365) 4.635 16.566 ( 1.405 0.000 1.587) 2.120 16.597 ( 1.594 0.000 -1.690) 2.323 16.633 ( 2.788 0.000 1.236) 3.050 16.656 ( 2.306 0.000 -1.141) 2.573 16.662 ( 1.438 0.000 1.531) 2.100 16.686 ( 1.178 0.000 -0.975) 1.530 17.014 ( 4.516 -0.000 1.711) 4.829 17.014 ( 4.345 0.000 1.755) 4.686 17.034 ( 4.981 0.000 -0.249) 4.988 17.048 ( 5.523 0.000 -1.615) 5.754 17.111 ( 1.768 0.000 5.395) 5.677 17.139 ( 1.659 0.000 4.675) 4.960 17.221 ( -0.625 -0.000 -6.233) 6.264 17.246 ( -1.227 0.000 -6.199) 6.320 ======================= Grid point 90 (36/36) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.647 0.000 2.356) 5.210 1.029 ( 4.647 0.000 2.356) 5.210 1.092 ( -3.371 0.000 -3.955) 5.197 1.092 ( 3.371 0.000 -3.955) 5.197 1.208 ( -1.153 0.000 5.752) 5.866 1.208 ( 1.153 0.000 5.752) 5.866 1.293 ( -2.342 0.000 -2.507) 3.431 1.293 ( 2.342 0.000 -2.507) 3.431 1.358 ( -5.145 0.000 4.445) 6.799 1.358 ( 5.145 0.000 4.445) 6.799 1.394 ( -0.680 0.000 -1.065) 1.263 1.394 ( 0.680 0.000 -1.065) 1.263 1.463 ( -0.250 0.000 2.166) 2.181 1.463 ( 0.250 0.000 2.166) 2.181 1.520 ( -0.544 0.000 -0.040) 0.546 1.520 ( 0.544 0.000 -0.040) 0.546 1.548 ( -6.726 0.000 -4.258) 7.960 1.548 ( 6.726 0.000 -4.258) 7.960 1.560 ( -0.163 0.000 -3.400) 3.404 1.560 ( 0.163 0.000 -3.400) 3.404 1.715 ( -0.358 0.000 0.598) 0.697 1.715 ( 0.358 0.000 0.598) 0.697 1.741 ( -0.116 0.000 -1.459) 1.464 1.741 ( 0.116 0.000 -1.459) 1.464 1.809 ( -0.783 0.000 3.222) 3.316 1.809 ( 0.784 0.000 3.222) 3.316 1.848 ( -1.156 -0.000 -0.604) 1.304 1.848 ( 1.156 0.000 -0.604) 1.304 1.918 ( -3.850 -0.000 1.615) 4.175 1.918 ( 3.850 0.000 1.615) 4.175 1.953 ( -2.210 0.000 0.969) 2.413 1.953 ( 2.210 0.000 0.968) 2.413 2.007 ( -3.143 0.000 -0.070) 3.144 2.007 ( 3.143 0.000 -0.070) 3.144 2.074 ( -4.711 0.000 -3.770) 6.033 2.074 ( 4.711 0.000 -3.770) 6.033 2.180 ( -5.770 0.000 3.767) 6.891 2.180 ( 5.770 0.000 3.767) 6.891 2.200 ( -3.657 -0.000 1.858) 4.102 2.200 ( 3.657 -0.000 1.858) 4.102 2.254 ( -5.260 0.000 -1.860) 5.579 2.254 ( 5.260 0.000 -1.860) 5.579 2.302 ( -4.102 0.000 -2.115) 4.615 2.302 ( 4.102 0.000 -2.115) 4.615 2.349 ( -1.066 0.000 -0.316) 1.112 2.349 ( 1.066 0.000 -0.316) 1.112 2.406 ( -3.704 0.000 -3.145) 4.859 2.406 ( 3.704 0.000 -3.145) 4.859 2.468 ( -3.584 0.000 4.256) 5.564 2.468 ( 3.584 0.000 4.256) 5.564 2.532 ( -2.698 0.000 -1.534) 3.103 2.532 ( 2.698 0.000 -1.534) 3.103 2.578 ( -2.747 0.000 -2.035) 3.419 2.578 ( 2.747 0.000 -2.035) 3.419 2.590 ( -0.509 -0.000 -1.432) 1.519 2.590 ( 0.509 0.000 -1.432) 1.519 2.623 ( -3.616 0.000 1.993) 4.129 2.623 ( 3.616 0.000 1.993) 4.129 2.669 ( -1.739 0.000 -2.007) 2.655 2.669 ( 1.739 0.000 -2.007) 2.655 2.840 ( -0.714 0.000 3.217) 3.295 2.840 ( 0.714 0.000 3.217) 3.295 2.901 ( -2.313 0.000 -3.062) 3.837 2.901 ( 2.313 0.000 -3.062) 3.837 2.995 ( -2.492 0.000 1.313) 2.817 2.995 ( 2.492 -0.000 1.313) 2.817 3.028 ( -1.977 0.000 -2.364) 3.082 3.028 ( 1.977 0.000 -2.364) 3.082 3.193 ( -1.921 0.000 1.996) 2.770 3.193 ( 1.921 0.000 1.996) 2.770 3.210 ( -0.231 0.000 0.079) 0.245 3.210 ( 0.231 0.000 0.079) 0.245 4.201 ( -2.295 0.000 2.373) 3.301 4.201 ( 2.295 0.000 2.373) 3.301 4.248 ( -1.854 0.000 -2.561) 3.162 4.248 ( 1.854 0.000 -2.561) 3.162 4.377 ( -3.667 0.000 2.401) 4.383 4.377 ( 3.667 0.000 2.401) 4.383 4.416 ( -2.355 0.000 -1.658) 2.880 4.416 ( 2.355 0.000 -1.658) 2.880 4.552 ( -2.825 0.000 4.161) 5.029 4.552 ( 2.825 -0.000 4.161) 5.029 4.598 ( -0.055 0.000 1.180) 1.181 4.598 ( 0.055 0.000 1.180) 1.181 4.637 ( -0.905 0.000 -2.300) 2.472 4.637 ( 0.905 0.000 -2.300) 2.472 4.654 ( -0.630 -0.000 -5.533) 5.569 4.654 ( 0.630 -0.000 -5.533) 5.569 4.859 ( -5.628 0.000 4.518) 7.218 4.859 ( 5.628 0.000 4.518) 7.218 4.933 ( -0.824 -0.000 2.527) 2.658 4.933 ( 0.824 -0.000 2.527) 2.658 4.952 ( -2.609 0.000 -4.777) 5.443 4.952 ( 2.609 0.000 -4.777) 5.443 4.995 ( -0.317 0.000 -4.090) 4.103 4.995 ( 0.317 0.000 -4.090) 4.103 5.518 ( -3.672 0.000 5.689) 6.771 5.518 ( 3.672 -0.000 5.689) 6.771 5.584 ( -0.668 0.000 3.625) 3.686 5.584 ( 0.668 0.000 3.625) 3.686 5.604 ( -1.610 0.000 -2.169) 2.701 5.604 ( 1.610 0.000 -2.169) 2.701 5.625 ( -0.772 0.000 0.024) 0.773 5.625 ( 0.772 0.000 0.024) 0.773 5.692 ( -1.476 0.000 1.965) 2.458 5.692 ( 1.476 0.000 1.965) 2.458 5.751 ( -4.267 0.000 -2.149) 4.778 5.751 ( 4.267 0.000 -2.149) 4.778 5.778 ( -6.481 0.000 0.776) 6.528 5.778 ( 6.481 -0.000 0.776) 6.528 5.857 ( -7.123 0.000 -5.536) 9.021 5.857 ( 7.123 0.000 -5.536) 9.021 6.264 ( -5.725 -0.000 0.793) 5.780 6.264 ( 5.725 -0.000 0.793) 5.780 6.275 ( -3.704 0.000 -0.515) 3.739 6.275 ( 3.704 0.000 -0.515) 3.739 6.398 ( -2.290 0.000 3.278) 3.999 6.398 ( 2.290 0.000 3.278) 3.999 6.472 ( -3.401 0.000 -4.558) 5.687 6.472 ( 3.401 0.000 -4.558) 5.687 6.696 ( -1.066 0.000 3.657) 3.809 6.696 ( 1.066 0.000 3.657) 3.809 6.756 ( -1.320 0.000 -2.035) 2.426 6.756 ( 1.320 0.000 -2.035) 2.426 6.822 ( -2.718 0.000 0.108) 2.720 6.822 ( 2.718 0.000 0.108) 2.720 6.851 ( -2.825 0.000 -3.078) 4.178 6.851 ( 2.825 0.000 -3.078) 4.178 7.151 ( -1.779 -0.000 0.855) 1.973 7.151 ( 1.779 0.000 0.855) 1.973 7.162 ( -2.351 -0.000 -0.323) 2.373 7.162 ( 2.351 0.000 -0.323) 2.373 7.266 ( -0.952 0.000 1.169) 1.508 7.266 ( 0.952 0.000 1.169) 1.508 7.284 ( -1.020 0.000 -0.901) 1.361 7.284 ( 1.020 0.000 -0.901) 1.361 7.393 ( -0.286 0.000 2.999) 3.013 7.393 ( 0.286 0.000 2.999) 3.013 7.439 ( -0.251 0.000 -2.013) 2.029 7.439 ( 0.251 0.000 -2.013) 2.029 7.508 ( -4.922 0.000 2.275) 5.422 7.508 ( 4.922 0.000 2.275) 5.422 7.543 ( -4.581 0.000 -1.401) 4.791 7.543 ( 4.581 0.000 -1.401) 4.791 7.637 ( -6.058 0.000 2.096) 6.410 7.637 ( 6.058 0.000 2.096) 6.410 7.653 ( -2.304 -0.000 0.966) 2.498 7.653 ( 2.304 0.000 0.966) 2.498 7.695 ( -3.855 0.000 2.499) 4.594 7.695 ( 3.855 -0.000 2.499) 4.594 7.734 ( -4.200 0.000 -1.534) 4.471 7.734 ( 4.200 0.000 -1.534) 4.471 7.910 ( -1.947 0.000 3.625) 4.115 7.910 ( 1.947 -0.000 3.625) 4.115 7.932 ( -1.024 0.000 1.094) 1.498 7.932 ( 1.024 0.000 1.094) 1.498 8.233 ( -1.300 -0.000 -1.753) 2.183 8.233 ( 1.300 0.000 -1.753) 2.183 8.262 ( -0.207 0.000 -4.829) 4.833 8.262 ( 0.207 0.000 -4.829) 4.833 8.482 ( -0.786 -0.000 1.824) 1.986 8.482 ( 0.786 0.000 1.824) 1.986 8.528 ( -0.028 0.000 -2.662) 2.662 8.528 ( 0.028 0.000 -2.662) 2.662 8.720 ( -0.054 0.000 6.280) 6.280 8.720 ( 0.054 0.000 6.280) 6.280 8.829 ( -0.056 0.000 -5.428) 5.428 8.829 ( 0.056 0.000 -5.428) 5.428 13.500 ( -0.916 0.000 1.174) 1.489 13.500 ( 0.916 0.000 1.174) 1.489 13.524 ( -0.875 0.000 -0.957) 1.297 13.524 ( 0.875 0.000 -0.957) 1.297 13.579 ( -1.670 0.000 1.563) 2.287 13.579 ( 1.670 0.000 1.563) 2.287 13.610 ( -2.021 0.000 -1.210) 2.355 13.610 ( 2.021 0.000 -1.210) 2.355 13.928 ( -2.360 0.000 1.015) 2.569 13.928 ( 2.360 0.000 1.015) 2.569 13.949 ( -3.516 0.000 -1.379) 3.777 13.949 ( 3.516 0.000 -1.379) 3.777 14.052 ( -1.711 -0.000 1.559) 2.314 14.052 ( 1.711 0.000 1.559) 2.314 14.087 ( -3.570 0.000 -1.860) 4.025 14.087 ( 3.570 0.000 -1.860) 4.025 15.476 ( -0.341 0.000 2.516) 2.539 15.476 ( 0.341 0.000 2.516) 2.539 15.523 ( -0.964 0.000 -1.792) 2.035 15.523 ( 0.964 0.000 -1.792) 2.035 15.646 ( -1.199 0.000 2.493) 2.766 15.646 ( 1.199 0.000 2.493) 2.766 15.699 ( -2.650 0.000 -2.466) 3.620 15.699 ( 2.650 0.000 -2.466) 3.620 16.023 ( -1.156 -0.000 0.810) 1.412 16.023 ( 1.156 -0.000 0.810) 1.412 16.030 ( -0.131 0.000 0.185) 0.226 16.030 ( 0.131 0.000 0.185) 0.226 16.071 ( -0.159 0.000 0.096) 0.185 16.071 ( 0.159 0.000 0.096) 0.185 16.088 ( -0.647 0.000 -1.694) 1.813 16.088 ( 0.647 0.000 -1.694) 1.813 16.568 ( -1.187 0.000 1.535) 1.940 16.568 ( 1.187 0.000 1.535) 1.940 16.602 ( -1.013 0.000 -2.093) 2.325 16.602 ( 1.013 0.000 -2.093) 2.325 16.669 ( -0.724 0.000 1.231) 1.428 16.669 ( 0.724 0.000 1.231) 1.428 16.689 ( -0.850 -0.000 -0.844) 1.198 16.689 ( 0.850 0.000 -0.844) 1.198 17.075 ( -0.044 -0.000 3.029) 3.029 17.075 ( 0.044 -0.000 3.029) 3.029 17.091 ( -0.590 0.000 2.281) 2.356 17.091 ( 0.590 0.000 2.281) 2.356 17.168 ( -0.558 -0.000 -1.683) 1.773 17.168 ( 0.558 -0.000 -1.683) 1.773 17.195 ( -1.185 0.000 -3.621) 3.810 17.195 ( 1.185 0.000 -3.621) 3.810 =================== 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 3/25920 10.0 27.270 22.152 20.394 0.000 0.000 -0.000 3/25920 20.0 5.870 4.096 3.414 0.000 0.000 -0.000 3/25920 30.0 2.736 1.872 1.573 0.000 0.000 -0.000 3/25920 40.0 1.741 1.185 1.019 0.000 0.000 -0.000 3/25920 50.0 1.274 0.865 0.761 0.000 0.000 -0.000 3/25920 60.0 1.006 0.681 0.612 0.000 0.000 -0.000 3/25920 70.0 0.833 0.563 0.515 0.000 0.000 -0.000 3/25920 80.0 0.713 0.481 0.446 0.000 0.000 -0.000 3/25920 90.0 0.625 0.421 0.395 0.000 0.000 -0.000 3/25920 100.0 0.558 0.375 0.356 0.000 0.000 -0.000 3/25920 110.0 0.505 0.339 0.324 0.000 0.000 -0.000 3/25920 120.0 0.463 0.309 0.298 0.000 0.000 -0.000 3/25920 130.0 0.427 0.285 0.277 0.000 0.000 -0.000 3/25920 140.0 0.397 0.265 0.258 0.000 0.000 -0.000 3/25920 150.0 0.372 0.248 0.242 0.000 0.000 -0.000 3/25920 160.0 0.350 0.233 0.229 0.000 0.000 -0.000 3/25920 170.0 0.331 0.220 0.216 0.000 0.000 -0.000 3/25920 180.0 0.314 0.209 0.206 0.000 0.000 -0.000 3/25920 190.0 0.299 0.198 0.196 0.000 0.000 -0.000 3/25920 200.0 0.285 0.189 0.187 0.000 0.000 -0.000 3/25920 210.0 0.273 0.181 0.179 0.000 0.000 -0.000 3/25920 220.0 0.262 0.173 0.172 0.000 0.000 -0.000 3/25920 230.0 0.252 0.167 0.165 0.000 0.000 -0.000 3/25920 240.0 0.242 0.160 0.159 0.000 0.000 -0.000 3/25920 250.0 0.234 0.154 0.153 0.000 0.000 -0.000 3/25920 260.0 0.225 0.149 0.148 0.000 0.000 -0.000 3/25920 270.0 0.218 0.144 0.143 0.000 0.000 -0.000 3/25920 280.0 0.211 0.139 0.139 0.000 0.000 -0.000 3/25920 290.0 0.204 0.135 0.134 0.000 0.000 -0.000 3/25920 300.0 0.198 0.131 0.130 0.000 0.000 -0.000 3/25920 310.0 0.192 0.127 0.126 0.000 0.000 -0.000 3/25920 320.0 0.187 0.123 0.123 0.000 0.000 -0.000 3/25920 330.0 0.182 0.120 0.119 0.000 0.000 -0.000 3/25920 340.0 0.177 0.117 0.116 0.000 0.000 -0.000 3/25920 350.0 0.172 0.114 0.113 0.000 0.000 -0.000 3/25920 360.0 0.168 0.111 0.110 0.000 0.000 -0.000 3/25920 370.0 0.164 0.108 0.108 0.000 0.000 -0.000 3/25920 380.0 0.160 0.105 0.105 0.000 0.000 -0.000 3/25920 390.0 0.156 0.103 0.102 0.000 0.000 -0.000 3/25920 400.0 0.152 0.100 0.100 0.000 0.000 -0.000 3/25920 410.0 0.149 0.098 0.098 0.000 0.000 -0.000 3/25920 420.0 0.146 0.096 0.096 0.000 0.000 -0.000 3/25920 430.0 0.142 0.094 0.094 0.000 0.000 -0.000 3/25920 440.0 0.139 0.092 0.092 0.000 0.000 -0.000 3/25920 450.0 0.136 0.090 0.090 0.000 0.000 -0.000 3/25920 460.0 0.134 0.088 0.088 0.000 0.000 -0.000 3/25920 470.0 0.131 0.086 0.086 0.000 0.000 -0.000 3/25920 480.0 0.128 0.085 0.084 0.000 0.000 -0.000 3/25920 490.0 0.126 0.083 0.083 0.000 0.000 -0.000 3/25920 500.0 0.124 0.081 0.081 0.000 0.000 -0.000 3/25920 510.0 0.121 0.080 0.080 0.000 0.000 -0.000 3/25920 520.0 0.119 0.078 0.078 0.000 0.000 -0.000 3/25920 530.0 0.117 0.077 0.077 0.000 0.000 -0.000 3/25920 540.0 0.115 0.076 0.075 0.000 0.000 -0.000 3/25920 550.0 0.113 0.074 0.074 0.000 0.000 -0.000 3/25920 560.0 0.111 0.073 0.073 0.000 0.000 -0.000 3/25920 570.0 0.109 0.072 0.072 0.000 0.000 -0.000 3/25920 580.0 0.107 0.071 0.070 0.000 0.000 -0.000 3/25920 590.0 0.105 0.070 0.069 0.000 0.000 -0.000 3/25920 600.0 0.104 0.068 0.068 0.000 0.000 -0.000 3/25920 610.0 0.102 0.067 0.067 0.000 0.000 -0.000 3/25920 620.0 0.101 0.066 0.066 0.000 0.000 -0.000 3/25920 630.0 0.099 0.065 0.065 0.000 0.000 -0.000 3/25920 640.0 0.098 0.064 0.064 0.000 0.000 -0.000 3/25920 650.0 0.096 0.063 0.063 0.000 0.000 -0.000 3/25920 660.0 0.095 0.062 0.062 0.000 0.000 -0.000 3/25920 670.0 0.093 0.061 0.061 0.000 0.000 -0.000 3/25920 680.0 0.092 0.061 0.060 0.000 0.000 -0.000 3/25920 690.0 0.091 0.060 0.060 0.000 0.000 -0.000 3/25920 700.0 0.089 0.059 0.059 0.000 0.000 -0.000 3/25920 710.0 0.088 0.058 0.058 0.000 0.000 -0.000 3/25920 720.0 0.087 0.057 0.057 0.000 0.000 -0.000 3/25920 730.0 0.086 0.057 0.056 0.000 0.000 -0.000 3/25920 740.0 0.085 0.056 0.056 0.000 0.000 -0.000 3/25920 750.0 0.084 0.055 0.055 0.000 0.000 -0.000 3/25920 760.0 0.083 0.054 0.054 0.000 0.000 -0.000 3/25920 770.0 0.082 0.054 0.054 0.000 0.000 -0.000 3/25920 780.0 0.081 0.053 0.053 0.000 0.000 -0.000 3/25920 790.0 0.080 0.052 0.052 0.000 0.000 -0.000 3/25920 800.0 0.079 0.052 0.052 0.000 0.000 -0.000 3/25920 810.0 0.078 0.051 0.051 0.000 0.000 -0.000 3/25920 820.0 0.077 0.051 0.050 0.000 0.000 -0.000 3/25920 830.0 0.076 0.050 0.050 0.000 0.000 -0.000 3/25920 840.0 0.075 0.049 0.049 0.000 0.000 -0.000 3/25920 850.0 0.074 0.049 0.049 0.000 0.000 -0.000 3/25920 860.0 0.073 0.048 0.048 0.000 0.000 -0.000 3/25920 870.0 0.072 0.048 0.048 0.000 0.000 -0.000 3/25920 880.0 0.072 0.047 0.047 0.000 0.000 -0.000 3/25920 890.0 0.071 0.047 0.046 0.000 0.000 -0.000 3/25920 900.0 0.070 0.046 0.046 0.000 0.000 -0.000 3/25920 910.0 0.069 0.046 0.045 0.000 0.000 -0.000 3/25920 920.0 0.069 0.045 0.045 0.000 0.000 -0.000 3/25920 930.0 0.068 0.045 0.045 0.000 0.000 -0.000 3/25920 940.0 0.067 0.044 0.044 0.000 0.000 -0.000 3/25920 950.0 0.066 0.044 0.044 0.000 0.000 -0.000 3/25920 960.0 0.066 0.043 0.043 0.000 0.000 -0.000 3/25920 970.0 0.065 0.043 0.043 0.000 0.000 -0.000 3/25920 980.0 0.064 0.042 0.042 0.000 0.000 -0.000 3/25920 990.0 0.064 0.042 0.042 0.000 0.000 -0.000 3/25920 1000.0 0.063 0.042 0.041 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m645.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:24:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|