----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:19:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928670530021165 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): *1 O 0.03030081610851 0.03095021405576 0.82496258982779 15.999 2 O 0.96969918389149 0.53095021405576 0.67503741017221 15.999 3 O 0.96969918389149 0.96904978594424 0.17503741017221 15.999 4 O 0.03030081610851 0.46904978594424 0.32496258982779 15.999 *5 O 0.76802821679029 0.25428186372305 0.71552475801936 15.999 6 O 0.23197178320971 0.75428186372305 0.78447524198064 15.999 7 O 0.23197178320971 0.74571813627695 0.28447524198064 15.999 8 O 0.76802821679029 0.24571813627695 0.21552475801936 15.999 *9 O 0.72662293258874 0.91104342903312 0.69628654938953 15.999 10 O 0.27337706741126 0.41104342903312 0.80371345061047 15.999 11 O 0.27337706741126 0.08895657096688 0.30371345061047 15.999 12 O 0.72662293258874 0.58895657096688 0.19628654938953 15.999 *13 O 0.20720631747376 0.92839125431293 0.54484522539550 15.999 14 O 0.79279368252624 0.42839125431293 0.95515477460450 15.999 15 O 0.79279368252624 0.07160874568707 0.45515477460450 15.999 16 O 0.20720631747376 0.57160874568707 0.04484522539550 15.999 *17 O 0.48669199423885 0.16463311994433 0.55081201462002 15.999 18 O 0.51330800576115 0.66463311994433 0.94918798537998 15.999 19 O 0.51330800576115 0.83536688005567 0.44918798537998 15.999 20 O 0.48669199423885 0.33536688005567 0.05081201462002 15.999 *21 O 0.13385352084416 0.25726745589091 0.56963978076962 15.999 22 O 0.86614647915584 0.75726745589091 0.93036021923038 15.999 23 O 0.86614647915584 0.74273254410909 0.43036021923038 15.999 24 O 0.13385352084416 0.24273254410909 0.06963978076962 15.999 *25 O 0.37594489180339 0.43697918392860 0.28176027862063 15.999 26 O 0.62405510819661 0.93697918392860 0.21823972137937 15.999 27 O 0.62405510819661 0.56302081607140 0.71823972137937 15.999 28 O 0.37594489180339 0.06302081607140 0.78176027862063 15.999 *29 O 0.72301717054938 0.41415880284917 0.45832147179199 15.999 30 O 0.27698282945061 0.91415880284917 0.04167852820801 15.999 31 O 0.27698282945061 0.58584119715083 0.54167852820801 15.999 32 O 0.72301717054938 0.08584119715083 0.95832147179199 15.999 *33 Ca 0.00138138801723 0.28724335201325 0.87016912312095 40.078 34 Ca 0.99861861198277 0.78724335201325 0.62983087687905 40.078 35 Ca 0.99861861198277 0.71275664798675 0.12983087687904 40.078 36 Ca 0.00138138801723 0.21275664798676 0.37016912312096 40.078 *37 Ca 0.53884595416785 0.26444645846555 0.85329193553205 40.078 38 Ca 0.46115404583215 0.76444645846555 0.64670806446795 40.078 39 Ca 0.46115404583215 0.73555354153445 0.14670806446795 40.078 40 Ca 0.53884595416785 0.23555354153445 0.35329193553205 40.078 *41 Ga 0.23733463817342 0.94092694636809 0.87005035419303 69.723 42 Ga 0.76266536182658 0.44092694636809 0.62994964580697 69.723 43 Ga 0.76266536182658 0.05907305363191 0.12994964580697 69.723 44 Ga 0.23733463817342 0.55907305363191 0.37005035419303 69.723 *45 Ga 0.82573454939666 0.94623570311424 0.86108911876785 69.723 46 Ga 0.17426545060334 0.44623570311424 0.63891088123215 69.723 47 Ga 0.17426545060334 0.05376429688576 0.13891088123215 69.723 48 Ga 0.82573454939666 0.55376429688576 0.36108911876785 69.723 *49 Ga 0.69919916313208 0.09455216128260 0.60922335175494 69.723 50 Ga 0.30080083686792 0.59455216128260 0.89077664824506 69.723 51 Ga 0.30080083686792 0.90544783871740 0.39077664824506 69.723 52 Ga 0.69919916313208 0.40544783871740 0.10922335175494 69.723 *53 Ga 0.28911108624795 0.10955445283053 0.61788691498643 69.723 54 Ga 0.71088891375205 0.60955445283053 0.88211308501357 69.723 55 Ga 0.71088891375205 0.89044554716947 0.38211308501357 69.723 56 Ga 0.28911108624795 0.39044554716947 0.11788691498643 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.928670530021165 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): *1 O 0.03030081610851 0.03095021405576 0.82496258982779 15.999 > 1 2 O 0.96969918389149 0.53095021405576 0.67503741017221 15.999 > 2 3 O 0.96969918389149 0.96904978594424 0.17503741017221 15.999 > 3 4 O 0.03030081610851 0.46904978594424 0.32496258982779 15.999 > 4 *5 O 0.76802821679029 0.25428186372305 0.71552475801936 15.999 > 5 6 O 0.23197178320971 0.75428186372305 0.78447524198064 15.999 > 6 7 O 0.23197178320971 0.74571813627695 0.28447524198064 15.999 > 7 8 O 0.76802821679029 0.24571813627695 0.21552475801936 15.999 > 8 *9 O 0.72662293258874 0.91104342903312 0.69628654938953 15.999 > 9 10 O 0.27337706741126 0.41104342903312 0.80371345061047 15.999 > 10 11 O 0.27337706741126 0.08895657096688 0.30371345061047 15.999 > 11 12 O 0.72662293258874 0.58895657096688 0.19628654938953 15.999 > 12 *13 O 0.20720631747376 0.92839125431293 0.54484522539550 15.999 > 13 14 O 0.79279368252624 0.42839125431293 0.95515477460450 15.999 > 14 15 O 0.79279368252624 0.07160874568707 0.45515477460450 15.999 > 15 16 O 0.20720631747376 0.57160874568707 0.04484522539550 15.999 > 16 *17 O 0.48669199423885 0.16463311994433 0.55081201462002 15.999 > 17 18 O 0.51330800576115 0.66463311994433 0.94918798537998 15.999 > 18 19 O 0.51330800576115 0.83536688005567 0.44918798537998 15.999 > 19 20 O 0.48669199423885 0.33536688005567 0.05081201462002 15.999 > 20 *21 O 0.13385352084416 0.25726745589091 0.56963978076962 15.999 > 21 22 O 0.86614647915584 0.75726745589091 0.93036021923038 15.999 > 22 23 O 0.86614647915584 0.74273254410909 0.43036021923038 15.999 > 23 24 O 0.13385352084416 0.24273254410909 0.06963978076962 15.999 > 24 *25 O 0.37594489180339 0.43697918392860 0.28176027862063 15.999 > 25 26 O 0.62405510819661 0.93697918392860 0.21823972137937 15.999 > 26 27 O 0.62405510819661 0.56302081607140 0.71823972137937 15.999 > 27 28 O 0.37594489180339 0.06302081607140 0.78176027862063 15.999 > 28 *29 O 0.72301717054938 0.41415880284917 0.45832147179199 15.999 > 29 30 O 0.27698282945061 0.91415880284917 0.04167852820801 15.999 > 30 31 O 0.27698282945061 0.58584119715083 0.54167852820801 15.999 > 31 32 O 0.72301717054938 0.08584119715083 0.95832147179199 15.999 > 32 *33 Ca 0.00138138801723 0.28724335201325 0.87016912312095 40.078 > 33 34 Ca 0.99861861198277 0.78724335201325 0.62983087687905 40.078 > 34 35 Ca 0.99861861198277 0.71275664798675 0.12983087687904 40.078 > 35 36 Ca 0.00138138801723 0.21275664798676 0.37016912312096 40.078 > 36 *37 Ca 0.53884595416785 0.26444645846555 0.85329193553205 40.078 > 37 38 Ca 0.46115404583215 0.76444645846555 0.64670806446795 40.078 > 38 39 Ca 0.46115404583215 0.73555354153445 0.14670806446795 40.078 > 39 40 Ca 0.53884595416785 0.23555354153445 0.35329193553205 40.078 > 40 *41 Ga 0.23733463817342 0.94092694636809 0.87005035419303 69.723 > 41 42 Ga 0.76266536182658 0.44092694636809 0.62994964580697 69.723 > 42 43 Ga 0.76266536182658 0.05907305363191 0.12994964580697 69.723 > 43 44 Ga 0.23733463817342 0.55907305363191 0.37005035419303 69.723 > 44 *45 Ga 0.82573454939666 0.94623570311424 0.86108911876785 69.723 > 45 46 Ga 0.17426545060334 0.44623570311424 0.63891088123215 69.723 > 46 47 Ga 0.17426545060334 0.05376429688576 0.13891088123215 69.723 > 47 48 Ga 0.82573454939666 0.55376429688576 0.36108911876785 69.723 > 48 *49 Ga 0.69919916313208 0.09455216128260 0.60922335175494 69.723 > 49 50 Ga 0.30080083686792 0.59455216128260 0.89077664824506 69.723 > 50 51 Ga 0.30080083686792 0.90544783871740 0.39077664824506 69.723 > 51 52 Ga 0.69919916313208 0.40544783871740 0.10922335175494 69.723 > 52 *53 Ga 0.28911108624795 0.10955445283053 0.61788691498643 69.723 > 53 54 Ga 0.71088891375205 0.60955445283053 0.88211308501357 69.723 > 54 55 Ga 0.71088891375205 0.89044554716947 0.38211308501357 69.723 > 55 56 Ga 0.28911108624795 0.39044554716947 0.11788691498643 69.723 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.857341060042330 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): *1 O 0.01515040805425 0.03095021405576 0.82496258982779 15.999 > 1 2 O 0.51515040805425 0.03095021405576 0.82496258982779 15.999 > 1 3 O 0.48484959194575 0.53095021405576 0.67503741017221 15.999 > 2 4 O 0.98484959194575 0.53095021405576 0.67503741017221 15.999 > 2 5 O 0.48484959194575 0.96904978594424 0.17503741017221 15.999 > 3 6 O 0.98484959194575 0.96904978594424 0.17503741017221 15.999 > 3 7 O 0.01515040805425 0.46904978594424 0.32496258982779 15.999 > 4 8 O 0.51515040805425 0.46904978594424 0.32496258982779 15.999 > 4 *9 O 0.38401410839514 0.25428186372305 0.71552475801936 15.999 > 5 10 O 0.88401410839514 0.25428186372305 0.71552475801936 15.999 > 5 11 O 0.11598589160486 0.75428186372305 0.78447524198064 15.999 > 6 12 O 0.61598589160486 0.75428186372305 0.78447524198064 15.999 > 6 13 O 0.11598589160486 0.74571813627695 0.28447524198064 15.999 > 7 14 O 0.61598589160486 0.74571813627695 0.28447524198064 15.999 > 7 15 O 0.38401410839514 0.24571813627695 0.21552475801936 15.999 > 8 16 O 0.88401410839514 0.24571813627695 0.21552475801936 15.999 > 8 *17 O 0.36331146629437 0.91104342903312 0.69628654938953 15.999 > 9 18 O 0.86331146629437 0.91104342903312 0.69628654938953 15.999 > 9 19 O 0.13668853370563 0.41104342903312 0.80371345061047 15.999 > 10 20 O 0.63668853370563 0.41104342903312 0.80371345061047 15.999 > 10 21 O 0.13668853370563 0.08895657096688 0.30371345061047 15.999 > 11 22 O 0.63668853370563 0.08895657096688 0.30371345061047 15.999 > 11 23 O 0.36331146629437 0.58895657096688 0.19628654938953 15.999 > 12 24 O 0.86331146629437 0.58895657096688 0.19628654938953 15.999 > 12 *25 O 0.10360315873688 0.92839125431293 0.54484522539550 15.999 > 13 26 O 0.60360315873688 0.92839125431293 0.54484522539550 15.999 > 13 27 O 0.39639684126312 0.42839125431293 0.95515477460450 15.999 > 14 28 O 0.89639684126312 0.42839125431293 0.95515477460450 15.999 > 14 29 O 0.39639684126312 0.07160874568707 0.45515477460450 15.999 > 15 30 O 0.89639684126312 0.07160874568707 0.45515477460450 15.999 > 15 31 O 0.10360315873688 0.57160874568707 0.04484522539550 15.999 > 16 32 O 0.60360315873688 0.57160874568707 0.04484522539550 15.999 > 16 *33 O 0.24334599711943 0.16463311994433 0.55081201462002 15.999 > 17 34 O 0.74334599711943 0.16463311994433 0.55081201462002 15.999 > 17 35 O 0.25665400288057 0.66463311994433 0.94918798537998 15.999 > 18 36 O 0.75665400288057 0.66463311994433 0.94918798537998 15.999 > 18 37 O 0.25665400288057 0.83536688005567 0.44918798537998 15.999 > 19 38 O 0.75665400288057 0.83536688005567 0.44918798537998 15.999 > 19 39 O 0.24334599711943 0.33536688005567 0.05081201462002 15.999 > 20 40 O 0.74334599711943 0.33536688005567 0.05081201462002 15.999 > 20 *41 O 0.06692676042208 0.25726745589091 0.56963978076962 15.999 > 21 42 O 0.56692676042208 0.25726745589091 0.56963978076962 15.999 > 21 43 O 0.43307323957792 0.75726745589091 0.93036021923038 15.999 > 22 44 O 0.93307323957792 0.75726745589091 0.93036021923038 15.999 > 22 45 O 0.43307323957792 0.74273254410909 0.43036021923038 15.999 > 23 46 O 0.93307323957792 0.74273254410909 0.43036021923038 15.999 > 23 47 O 0.06692676042208 0.24273254410909 0.06963978076962 15.999 > 24 48 O 0.56692676042208 0.24273254410909 0.06963978076962 15.999 > 24 *49 O 0.18797244590170 0.43697918392860 0.28176027862063 15.999 > 25 50 O 0.68797244590170 0.43697918392860 0.28176027862063 15.999 > 25 51 O 0.31202755409830 0.93697918392860 0.21823972137937 15.999 > 26 52 O 0.81202755409830 0.93697918392860 0.21823972137937 15.999 > 26 53 O 0.31202755409830 0.56302081607140 0.71823972137937 15.999 > 27 54 O 0.81202755409830 0.56302081607140 0.71823972137937 15.999 > 27 55 O 0.18797244590170 0.06302081607140 0.78176027862063 15.999 > 28 56 O 0.68797244590170 0.06302081607140 0.78176027862063 15.999 > 28 *57 O 0.36150858527469 0.41415880284917 0.45832147179199 15.999 > 29 58 O 0.86150858527469 0.41415880284917 0.45832147179199 15.999 > 29 59 O 0.13849141472531 0.91415880284917 0.04167852820801 15.999 > 30 60 O 0.63849141472531 0.91415880284917 0.04167852820801 15.999 > 30 61 O 0.13849141472531 0.58584119715083 0.54167852820801 15.999 > 31 62 O 0.63849141472531 0.58584119715083 0.54167852820801 15.999 > 31 63 O 0.36150858527469 0.08584119715083 0.95832147179199 15.999 > 32 64 O 0.86150858527469 0.08584119715083 0.95832147179199 15.999 > 32 *65 Ca 0.00069069400862 0.28724335201325 0.87016912312095 40.078 > 33 66 Ca 0.50069069400862 0.28724335201325 0.87016912312095 40.078 > 33 67 Ca 0.49930930599138 0.78724335201325 0.62983087687905 40.078 > 34 68 Ca 0.99930930599138 0.78724335201325 0.62983087687905 40.078 > 34 69 Ca 0.49930930599138 0.71275664798675 0.12983087687904 40.078 > 35 70 Ca 0.99930930599138 0.71275664798675 0.12983087687904 40.078 > 35 71 Ca 0.00069069400862 0.21275664798676 0.37016912312096 40.078 > 36 72 Ca 0.50069069400862 0.21275664798676 0.37016912312096 40.078 > 36 *73 Ca 0.26942297708393 0.26444645846555 0.85329193553205 40.078 > 37 74 Ca 0.76942297708393 0.26444645846555 0.85329193553205 40.078 > 37 75 Ca 0.23057702291607 0.76444645846555 0.64670806446795 40.078 > 38 76 Ca 0.73057702291607 0.76444645846555 0.64670806446795 40.078 > 38 77 Ca 0.23057702291607 0.73555354153445 0.14670806446795 40.078 > 39 78 Ca 0.73057702291607 0.73555354153445 0.14670806446795 40.078 > 39 79 Ca 0.26942297708393 0.23555354153445 0.35329193553205 40.078 > 40 80 Ca 0.76942297708393 0.23555354153445 0.35329193553205 40.078 > 40 *81 Ga 0.11866731908671 0.94092694636809 0.87005035419303 69.723 > 41 82 Ga 0.61866731908671 0.94092694636809 0.87005035419303 69.723 > 41 83 Ga 0.38133268091329 0.44092694636809 0.62994964580697 69.723 > 42 84 Ga 0.88133268091329 0.44092694636809 0.62994964580697 69.723 > 42 85 Ga 0.38133268091329 0.05907305363191 0.12994964580697 69.723 > 43 86 Ga 0.88133268091329 0.05907305363191 0.12994964580697 69.723 > 43 87 Ga 0.11866731908671 0.55907305363191 0.37005035419303 69.723 > 44 88 Ga 0.61866731908671 0.55907305363191 0.37005035419303 69.723 > 44 *89 Ga 0.41286727469833 0.94623570311424 0.86108911876785 69.723 > 45 90 Ga 0.91286727469833 0.94623570311424 0.86108911876785 69.723 > 45 91 Ga 0.08713272530167 0.44623570311424 0.63891088123215 69.723 > 46 92 Ga 0.58713272530167 0.44623570311424 0.63891088123215 69.723 > 46 93 Ga 0.08713272530167 0.05376429688576 0.13891088123215 69.723 > 47 94 Ga 0.58713272530167 0.05376429688576 0.13891088123215 69.723 > 47 95 Ga 0.41286727469833 0.55376429688576 0.36108911876785 69.723 > 48 96 Ga 0.91286727469833 0.55376429688576 0.36108911876785 69.723 > 48 *97 Ga 0.34959958156604 0.09455216128260 0.60922335175494 69.723 > 49 98 Ga 0.84959958156604 0.09455216128260 0.60922335175494 69.723 > 49 99 Ga 0.15040041843396 0.59455216128260 0.89077664824506 69.723 > 50 100 Ga 0.65040041843396 0.59455216128260 0.89077664824506 69.723 > 50 101 Ga 0.15040041843396 0.90544783871740 0.39077664824506 69.723 > 51 102 Ga 0.65040041843396 0.90544783871740 0.39077664824506 69.723 > 51 103 Ga 0.34959958156604 0.40544783871740 0.10922335175494 69.723 > 52 104 Ga 0.84959958156604 0.40544783871740 0.10922335175494 69.723 > 52 *105 Ga 0.14455554312398 0.10955445283053 0.61788691498643 69.723 > 53 106 Ga 0.64455554312398 0.10955445283053 0.61788691498643 69.723 > 53 107 Ga 0.35544445687602 0.60955445283053 0.88211308501357 69.723 > 54 108 Ga 0.85544445687602 0.60955445283053 0.88211308501357 69.723 > 54 109 Ga 0.35544445687602 0.89044554716947 0.38211308501357 69.723 > 55 110 Ga 0.85544445687602 0.89044554716947 0.38211308501357 69.723 > 55 111 Ga 0.14455554312398 0.39044554716947 0.11788691498643 69.723 > 56 112 Ga 0.64455554312398 0.39044554716947 0.11788691498643 69.723 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3942864 0.0000000 0.0027710 0.0000000 3.5661853 0.0000000 0.0027722 0.0000000 3.6207993 -------------------------- Born effective charges -------------------------- 1 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 2 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 3 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 4 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 5 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 6 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 7 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 8 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 9 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 10 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 11 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 12 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 13 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 14 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 15 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 16 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 17 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 18 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 19 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 20 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 21 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 22 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 23 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 24 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 25 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 26 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 27 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 28 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 29 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 30 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 31 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 32 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 33 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 34 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 35 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 36 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 37 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 38 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 39 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 40 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 41 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 42 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 43 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 44 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 45 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 46 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 47 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 48 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 49 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 50 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 51 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 52 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 53 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 54 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 55 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 56 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1680 - Time: 3.396 Solver_block: 200 / 1680 - Time: 3.024 Solver_block: 300 / 1680 - Time: 2.990 Solver_block: 400 / 1680 - Time: 3.078 Solver_block: 500 / 1680 - Time: 2.363 Solver_block: 600 / 1680 - Time: 3.192 Solver_block: 700 / 1680 - Time: 3.095 Solver_block: 800 / 1680 - Time: 2.839 Solver_block: 900 / 1680 - Time: 2.158 Solver_block: 1000 / 1680 - Time: 1.924 Solver_block: 1100 / 1680 - Time: 1.855 Solver_block: 1200 / 1680 - Time: 1.876 Solver_block: 1300 / 1680 - Time: 2.124 Solver_block: 1400 / 1680 - Time: 2.287 Solver_block: 1500 / 1680 - Time: 2.356 Solver_block: 1600 / 1680 - Time: 2.357 Solver_block: 1680 / 1680 - Time: 1.974 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 44.679 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 22:22:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:22:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928670530021165 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): 1 O 0.03030081610851 0.03095021405576 0.82496258982779 15.999 2 O 0.96969918389149 0.53095021405576 0.67503741017221 15.999 3 O 0.96969918389149 0.96904978594424 0.17503741017221 15.999 4 O 0.03030081610851 0.46904978594424 0.32496258982779 15.999 5 O 0.76802821679029 0.25428186372305 0.71552475801936 15.999 6 O 0.23197178320971 0.75428186372305 0.78447524198064 15.999 7 O 0.23197178320971 0.74571813627695 0.28447524198064 15.999 8 O 0.76802821679029 0.24571813627695 0.21552475801936 15.999 9 O 0.72662293258874 0.91104342903312 0.69628654938953 15.999 10 O 0.27337706741126 0.41104342903312 0.80371345061047 15.999 11 O 0.27337706741126 0.08895657096688 0.30371345061047 15.999 12 O 0.72662293258874 0.58895657096688 0.19628654938953 15.999 13 O 0.20720631747376 0.92839125431293 0.54484522539550 15.999 14 O 0.79279368252624 0.42839125431293 0.95515477460450 15.999 15 O 0.79279368252624 0.07160874568707 0.45515477460450 15.999 16 O 0.20720631747376 0.57160874568707 0.04484522539550 15.999 17 O 0.48669199423885 0.16463311994433 0.55081201462002 15.999 18 O 0.51330800576115 0.66463311994433 0.94918798537998 15.999 19 O 0.51330800576115 0.83536688005567 0.44918798537998 15.999 20 O 0.48669199423885 0.33536688005567 0.05081201462002 15.999 21 O 0.13385352084416 0.25726745589091 0.56963978076962 15.999 22 O 0.86614647915584 0.75726745589091 0.93036021923038 15.999 23 O 0.86614647915584 0.74273254410909 0.43036021923038 15.999 24 O 0.13385352084416 0.24273254410909 0.06963978076962 15.999 25 O 0.37594489180339 0.43697918392860 0.28176027862063 15.999 26 O 0.62405510819661 0.93697918392860 0.21823972137937 15.999 27 O 0.62405510819661 0.56302081607140 0.71823972137937 15.999 28 O 0.37594489180339 0.06302081607140 0.78176027862063 15.999 29 O 0.72301717054938 0.41415880284917 0.45832147179199 15.999 30 O 0.27698282945061 0.91415880284917 0.04167852820801 15.999 31 O 0.27698282945061 0.58584119715083 0.54167852820801 15.999 32 O 0.72301717054938 0.08584119715083 0.95832147179199 15.999 33 Ca 0.00138138801723 0.28724335201325 0.87016912312095 40.078 34 Ca 0.99861861198277 0.78724335201325 0.62983087687905 40.078 35 Ca 0.99861861198277 0.71275664798675 0.12983087687904 40.078 36 Ca 0.00138138801723 0.21275664798676 0.37016912312096 40.078 37 Ca 0.53884595416785 0.26444645846555 0.85329193553205 40.078 38 Ca 0.46115404583215 0.76444645846555 0.64670806446795 40.078 39 Ca 0.46115404583215 0.73555354153445 0.14670806446795 40.078 40 Ca 0.53884595416785 0.23555354153445 0.35329193553205 40.078 41 Ga 0.23733463817342 0.94092694636809 0.87005035419303 69.723 42 Ga 0.76266536182658 0.44092694636809 0.62994964580697 69.723 43 Ga 0.76266536182658 0.05907305363191 0.12994964580697 69.723 44 Ga 0.23733463817342 0.55907305363191 0.37005035419303 69.723 45 Ga 0.82573454939666 0.94623570311424 0.86108911876785 69.723 46 Ga 0.17426545060334 0.44623570311424 0.63891088123215 69.723 47 Ga 0.17426545060334 0.05376429688576 0.13891088123215 69.723 48 Ga 0.82573454939666 0.55376429688576 0.36108911876785 69.723 49 Ga 0.69919916313208 0.09455216128260 0.60922335175494 69.723 50 Ga 0.30080083686792 0.59455216128260 0.89077664824506 69.723 51 Ga 0.30080083686792 0.90544783871740 0.39077664824506 69.723 52 Ga 0.69919916313208 0.40544783871740 0.10922335175494 69.723 53 Ga 0.28911108624795 0.10955445283053 0.61788691498643 69.723 54 Ga 0.71088891375205 0.60955445283053 0.88211308501357 69.723 55 Ga 0.71088891375205 0.89044554716947 0.38211308501357 69.723 56 Ga 0.28911108624795 0.39044554716947 0.11788691498643 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857341060042330 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): 1 O 0.01515040805425 0.03095021405576 0.82496258982779 15.999 > 1 2 O 0.51515040805425 0.03095021405576 0.82496258982779 15.999 > 1 3 O 0.48484959194575 0.53095021405576 0.67503741017221 15.999 > 3 4 O 0.98484959194575 0.53095021405576 0.67503741017221 15.999 > 3 5 O 0.48484959194575 0.96904978594424 0.17503741017221 15.999 > 5 6 O 0.98484959194575 0.96904978594424 0.17503741017221 15.999 > 5 7 O 0.01515040805425 0.46904978594424 0.32496258982779 15.999 > 7 8 O 0.51515040805425 0.46904978594424 0.32496258982779 15.999 > 7 9 O 0.38401410839514 0.25428186372305 0.71552475801936 15.999 > 9 10 O 0.88401410839514 0.25428186372305 0.71552475801936 15.999 > 9 11 O 0.11598589160486 0.75428186372305 0.78447524198064 15.999 > 11 12 O 0.61598589160486 0.75428186372305 0.78447524198064 15.999 > 11 13 O 0.11598589160486 0.74571813627695 0.28447524198064 15.999 > 13 14 O 0.61598589160486 0.74571813627695 0.28447524198064 15.999 > 13 15 O 0.38401410839514 0.24571813627695 0.21552475801936 15.999 > 15 16 O 0.88401410839514 0.24571813627695 0.21552475801936 15.999 > 15 17 O 0.36331146629437 0.91104342903312 0.69628654938953 15.999 > 17 18 O 0.86331146629437 0.91104342903312 0.69628654938953 15.999 > 17 19 O 0.13668853370563 0.41104342903312 0.80371345061047 15.999 > 19 20 O 0.63668853370563 0.41104342903312 0.80371345061047 15.999 > 19 21 O 0.13668853370563 0.08895657096688 0.30371345061047 15.999 > 21 22 O 0.63668853370563 0.08895657096688 0.30371345061047 15.999 > 21 23 O 0.36331146629437 0.58895657096688 0.19628654938953 15.999 > 23 24 O 0.86331146629437 0.58895657096688 0.19628654938953 15.999 > 23 25 O 0.10360315873688 0.92839125431293 0.54484522539550 15.999 > 25 26 O 0.60360315873688 0.92839125431293 0.54484522539550 15.999 > 25 27 O 0.39639684126312 0.42839125431293 0.95515477460450 15.999 > 27 28 O 0.89639684126312 0.42839125431293 0.95515477460450 15.999 > 27 29 O 0.39639684126312 0.07160874568707 0.45515477460450 15.999 > 29 30 O 0.89639684126312 0.07160874568707 0.45515477460450 15.999 > 29 31 O 0.10360315873688 0.57160874568707 0.04484522539550 15.999 > 31 32 O 0.60360315873688 0.57160874568707 0.04484522539550 15.999 > 31 33 O 0.24334599711943 0.16463311994433 0.55081201462002 15.999 > 33 34 O 0.74334599711943 0.16463311994433 0.55081201462002 15.999 > 33 35 O 0.25665400288057 0.66463311994433 0.94918798537998 15.999 > 35 36 O 0.75665400288057 0.66463311994433 0.94918798537998 15.999 > 35 37 O 0.25665400288057 0.83536688005567 0.44918798537998 15.999 > 37 38 O 0.75665400288057 0.83536688005567 0.44918798537998 15.999 > 37 39 O 0.24334599711943 0.33536688005567 0.05081201462002 15.999 > 39 40 O 0.74334599711943 0.33536688005567 0.05081201462002 15.999 > 39 41 O 0.06692676042208 0.25726745589091 0.56963978076962 15.999 > 41 42 O 0.56692676042208 0.25726745589091 0.56963978076962 15.999 > 41 43 O 0.43307323957792 0.75726745589091 0.93036021923038 15.999 > 43 44 O 0.93307323957792 0.75726745589091 0.93036021923038 15.999 > 43 45 O 0.43307323957792 0.74273254410909 0.43036021923038 15.999 > 45 46 O 0.93307323957792 0.74273254410909 0.43036021923038 15.999 > 45 47 O 0.06692676042208 0.24273254410909 0.06963978076962 15.999 > 47 48 O 0.56692676042208 0.24273254410909 0.06963978076962 15.999 > 47 49 O 0.18797244590170 0.43697918392860 0.28176027862063 15.999 > 49 50 O 0.68797244590170 0.43697918392860 0.28176027862063 15.999 > 49 51 O 0.31202755409830 0.93697918392860 0.21823972137937 15.999 > 51 52 O 0.81202755409830 0.93697918392860 0.21823972137937 15.999 > 51 53 O 0.31202755409830 0.56302081607140 0.71823972137937 15.999 > 53 54 O 0.81202755409830 0.56302081607140 0.71823972137937 15.999 > 53 55 O 0.18797244590170 0.06302081607140 0.78176027862063 15.999 > 55 56 O 0.68797244590170 0.06302081607140 0.78176027862063 15.999 > 55 57 O 0.36150858527469 0.41415880284917 0.45832147179199 15.999 > 57 58 O 0.86150858527469 0.41415880284917 0.45832147179199 15.999 > 57 59 O 0.13849141472531 0.91415880284917 0.04167852820801 15.999 > 59 60 O 0.63849141472531 0.91415880284917 0.04167852820801 15.999 > 59 61 O 0.13849141472531 0.58584119715083 0.54167852820801 15.999 > 61 62 O 0.63849141472531 0.58584119715083 0.54167852820801 15.999 > 61 63 O 0.36150858527469 0.08584119715083 0.95832147179199 15.999 > 63 64 O 0.86150858527469 0.08584119715083 0.95832147179199 15.999 > 63 65 Ca 0.00069069400862 0.28724335201325 0.87016912312095 40.078 > 65 66 Ca 0.50069069400862 0.28724335201325 0.87016912312095 40.078 > 65 67 Ca 0.49930930599138 0.78724335201325 0.62983087687905 40.078 > 67 68 Ca 0.99930930599138 0.78724335201325 0.62983087687905 40.078 > 67 69 Ca 0.49930930599138 0.71275664798675 0.12983087687904 40.078 > 69 70 Ca 0.99930930599138 0.71275664798675 0.12983087687904 40.078 > 69 71 Ca 0.00069069400862 0.21275664798676 0.37016912312096 40.078 > 71 72 Ca 0.50069069400862 0.21275664798676 0.37016912312096 40.078 > 71 73 Ca 0.26942297708393 0.26444645846555 0.85329193553205 40.078 > 73 74 Ca 0.76942297708393 0.26444645846555 0.85329193553205 40.078 > 73 75 Ca 0.23057702291607 0.76444645846555 0.64670806446795 40.078 > 75 76 Ca 0.73057702291607 0.76444645846555 0.64670806446795 40.078 > 75 77 Ca 0.23057702291607 0.73555354153445 0.14670806446795 40.078 > 77 78 Ca 0.73057702291607 0.73555354153445 0.14670806446795 40.078 > 77 79 Ca 0.26942297708393 0.23555354153445 0.35329193553205 40.078 > 79 80 Ca 0.76942297708393 0.23555354153445 0.35329193553205 40.078 > 79 81 Ga 0.11866731908671 0.94092694636809 0.87005035419303 69.723 > 81 82 Ga 0.61866731908671 0.94092694636809 0.87005035419303 69.723 > 81 83 Ga 0.38133268091329 0.44092694636809 0.62994964580697 69.723 > 83 84 Ga 0.88133268091329 0.44092694636809 0.62994964580697 69.723 > 83 85 Ga 0.38133268091329 0.05907305363191 0.12994964580697 69.723 > 85 86 Ga 0.88133268091329 0.05907305363191 0.12994964580697 69.723 > 85 87 Ga 0.11866731908671 0.55907305363191 0.37005035419303 69.723 > 87 88 Ga 0.61866731908671 0.55907305363191 0.37005035419303 69.723 > 87 89 Ga 0.41286727469833 0.94623570311424 0.86108911876785 69.723 > 89 90 Ga 0.91286727469833 0.94623570311424 0.86108911876785 69.723 > 89 91 Ga 0.08713272530167 0.44623570311424 0.63891088123215 69.723 > 91 92 Ga 0.58713272530167 0.44623570311424 0.63891088123215 69.723 > 91 93 Ga 0.08713272530167 0.05376429688576 0.13891088123215 69.723 > 93 94 Ga 0.58713272530167 0.05376429688576 0.13891088123215 69.723 > 93 95 Ga 0.41286727469833 0.55376429688576 0.36108911876785 69.723 > 95 96 Ga 0.91286727469833 0.55376429688576 0.36108911876785 69.723 > 95 97 Ga 0.34959958156604 0.09455216128260 0.60922335175494 69.723 > 97 98 Ga 0.84959958156604 0.09455216128260 0.60922335175494 69.723 > 97 99 Ga 0.15040041843396 0.59455216128260 0.89077664824506 69.723 > 99 100 Ga 0.65040041843396 0.59455216128260 0.89077664824506 69.723 > 99 101 Ga 0.15040041843396 0.90544783871740 0.39077664824506 69.723 > 101 102 Ga 0.65040041843396 0.90544783871740 0.39077664824506 69.723 > 101 103 Ga 0.34959958156604 0.40544783871740 0.10922335175494 69.723 > 103 104 Ga 0.84959958156604 0.40544783871740 0.10922335175494 69.723 > 103 105 Ga 0.14455554312398 0.10955445283053 0.61788691498643 69.723 > 105 106 Ga 0.64455554312398 0.10955445283053 0.61788691498643 69.723 > 105 107 Ga 0.35544445687602 0.60955445283053 0.88211308501357 69.723 > 107 108 Ga 0.85544445687602 0.60955445283053 0.88211308501357 69.723 > 107 109 Ga 0.35544445687602 0.89044554716947 0.38211308501357 69.723 > 109 110 Ga 0.85544445687602 0.89044554716947 0.38211308501357 69.723 > 109 111 Ga 0.14455554312398 0.39044554716947 0.11788691498643 69.723 > 111 112 Ga 0.64455554312398 0.39044554716947 0.11788691498643 69.723 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3942864 0.0000000 0.0027710 0.0000000 3.5661853 0.0000000 0.0027722 0.0000000 3.6207993 -------------------------- Born effective charges -------------------------- 1 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 2 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 3 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 4 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 5 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 6 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 7 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 8 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 9 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 10 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 11 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 12 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 13 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 14 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 15 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 16 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 17 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 18 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 19 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 20 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 21 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 22 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 23 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 24 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 25 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 26 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 27 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 28 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 29 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 30 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 31 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 32 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 33 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 34 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 35 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 36 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 37 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 38 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 39 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 40 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 41 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 42 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 43 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 44 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 45 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 46 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 47 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 48 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 49 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 50 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 51 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 52 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 53 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 54 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 55 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 56 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928670530021165 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): 1 O 0.03030081610851 0.03095021405576 0.82496258982779 15.999 2 O 0.96969918389149 0.53095021405576 0.67503741017221 15.999 3 O 0.96969918389149 0.96904978594424 0.17503741017221 15.999 4 O 0.03030081610851 0.46904978594424 0.32496258982779 15.999 5 O 0.76802821679029 0.25428186372305 0.71552475801936 15.999 6 O 0.23197178320971 0.75428186372305 0.78447524198064 15.999 7 O 0.23197178320971 0.74571813627695 0.28447524198064 15.999 8 O 0.76802821679029 0.24571813627695 0.21552475801936 15.999 9 O 0.72662293258874 0.91104342903312 0.69628654938953 15.999 10 O 0.27337706741126 0.41104342903312 0.80371345061047 15.999 11 O 0.27337706741126 0.08895657096688 0.30371345061047 15.999 12 O 0.72662293258874 0.58895657096688 0.19628654938953 15.999 13 O 0.20720631747376 0.92839125431293 0.54484522539550 15.999 14 O 0.79279368252624 0.42839125431293 0.95515477460450 15.999 15 O 0.79279368252624 0.07160874568707 0.45515477460450 15.999 16 O 0.20720631747376 0.57160874568707 0.04484522539550 15.999 17 O 0.48669199423885 0.16463311994433 0.55081201462002 15.999 18 O 0.51330800576115 0.66463311994433 0.94918798537998 15.999 19 O 0.51330800576115 0.83536688005567 0.44918798537998 15.999 20 O 0.48669199423885 0.33536688005567 0.05081201462002 15.999 21 O 0.13385352084416 0.25726745589091 0.56963978076962 15.999 22 O 0.86614647915584 0.75726745589091 0.93036021923038 15.999 23 O 0.86614647915584 0.74273254410909 0.43036021923038 15.999 24 O 0.13385352084416 0.24273254410909 0.06963978076962 15.999 25 O 0.37594489180339 0.43697918392860 0.28176027862063 15.999 26 O 0.62405510819661 0.93697918392860 0.21823972137937 15.999 27 O 0.62405510819661 0.56302081607140 0.71823972137937 15.999 28 O 0.37594489180339 0.06302081607140 0.78176027862063 15.999 29 O 0.72301717054938 0.41415880284917 0.45832147179199 15.999 30 O 0.27698282945061 0.91415880284917 0.04167852820801 15.999 31 O 0.27698282945061 0.58584119715083 0.54167852820801 15.999 32 O 0.72301717054938 0.08584119715083 0.95832147179199 15.999 33 Ca 0.00138138801723 0.28724335201325 0.87016912312095 40.078 34 Ca 0.99861861198277 0.78724335201325 0.62983087687905 40.078 35 Ca 0.99861861198277 0.71275664798675 0.12983087687904 40.078 36 Ca 0.00138138801723 0.21275664798676 0.37016912312096 40.078 37 Ca 0.53884595416785 0.26444645846555 0.85329193553205 40.078 38 Ca 0.46115404583215 0.76444645846555 0.64670806446795 40.078 39 Ca 0.46115404583215 0.73555354153445 0.14670806446795 40.078 40 Ca 0.53884595416785 0.23555354153445 0.35329193553205 40.078 41 Ga 0.23733463817342 0.94092694636809 0.87005035419303 69.723 42 Ga 0.76266536182658 0.44092694636809 0.62994964580697 69.723 43 Ga 0.76266536182658 0.05907305363191 0.12994964580697 69.723 44 Ga 0.23733463817342 0.55907305363191 0.37005035419303 69.723 45 Ga 0.82573454939666 0.94623570311424 0.86108911876785 69.723 46 Ga 0.17426545060334 0.44623570311424 0.63891088123215 69.723 47 Ga 0.17426545060334 0.05376429688576 0.13891088123215 69.723 48 Ga 0.82573454939666 0.55376429688576 0.36108911876785 69.723 49 Ga 0.69919916313208 0.09455216128260 0.60922335175494 69.723 50 Ga 0.30080083686792 0.59455216128260 0.89077664824506 69.723 51 Ga 0.30080083686792 0.90544783871740 0.39077664824506 69.723 52 Ga 0.69919916313208 0.40544783871740 0.10922335175494 69.723 53 Ga 0.28911108624795 0.10955445283053 0.61788691498643 69.723 54 Ga 0.71088891375205 0.60955445283053 0.88211308501357 69.723 55 Ga 0.71088891375205 0.89044554716947 0.38211308501357 69.723 56 Ga 0.28911108624795 0.39044554716947 0.11788691498643 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857341060042330 0.000000000000000 0.000000000000000 b 0.000000000000000 8.797864340000000 0.000000000000000 c -0.892553423839962 0.000000000000000 10.548696927692657 Atomic positions (fractional): 1 O 0.01515040805425 0.03095021405576 0.82496258982779 15.999 > 1 2 O 0.51515040805425 0.03095021405576 0.82496258982779 15.999 > 1 3 O 0.48484959194575 0.53095021405576 0.67503741017221 15.999 > 3 4 O 0.98484959194575 0.53095021405576 0.67503741017221 15.999 > 3 5 O 0.48484959194575 0.96904978594424 0.17503741017221 15.999 > 5 6 O 0.98484959194575 0.96904978594424 0.17503741017221 15.999 > 5 7 O 0.01515040805425 0.46904978594424 0.32496258982779 15.999 > 7 8 O 0.51515040805425 0.46904978594424 0.32496258982779 15.999 > 7 9 O 0.38401410839514 0.25428186372305 0.71552475801936 15.999 > 9 10 O 0.88401410839514 0.25428186372305 0.71552475801936 15.999 > 9 11 O 0.11598589160486 0.75428186372305 0.78447524198064 15.999 > 11 12 O 0.61598589160486 0.75428186372305 0.78447524198064 15.999 > 11 13 O 0.11598589160486 0.74571813627695 0.28447524198064 15.999 > 13 14 O 0.61598589160486 0.74571813627695 0.28447524198064 15.999 > 13 15 O 0.38401410839514 0.24571813627695 0.21552475801936 15.999 > 15 16 O 0.88401410839514 0.24571813627695 0.21552475801936 15.999 > 15 17 O 0.36331146629437 0.91104342903312 0.69628654938953 15.999 > 17 18 O 0.86331146629437 0.91104342903312 0.69628654938953 15.999 > 17 19 O 0.13668853370563 0.41104342903312 0.80371345061047 15.999 > 19 20 O 0.63668853370563 0.41104342903312 0.80371345061047 15.999 > 19 21 O 0.13668853370563 0.08895657096688 0.30371345061047 15.999 > 21 22 O 0.63668853370563 0.08895657096688 0.30371345061047 15.999 > 21 23 O 0.36331146629437 0.58895657096688 0.19628654938953 15.999 > 23 24 O 0.86331146629437 0.58895657096688 0.19628654938953 15.999 > 23 25 O 0.10360315873688 0.92839125431293 0.54484522539550 15.999 > 25 26 O 0.60360315873688 0.92839125431293 0.54484522539550 15.999 > 25 27 O 0.39639684126312 0.42839125431293 0.95515477460450 15.999 > 27 28 O 0.89639684126312 0.42839125431293 0.95515477460450 15.999 > 27 29 O 0.39639684126312 0.07160874568707 0.45515477460450 15.999 > 29 30 O 0.89639684126312 0.07160874568707 0.45515477460450 15.999 > 29 31 O 0.10360315873688 0.57160874568707 0.04484522539550 15.999 > 31 32 O 0.60360315873688 0.57160874568707 0.04484522539550 15.999 > 31 33 O 0.24334599711943 0.16463311994433 0.55081201462002 15.999 > 33 34 O 0.74334599711943 0.16463311994433 0.55081201462002 15.999 > 33 35 O 0.25665400288057 0.66463311994433 0.94918798537998 15.999 > 35 36 O 0.75665400288057 0.66463311994433 0.94918798537998 15.999 > 35 37 O 0.25665400288057 0.83536688005567 0.44918798537998 15.999 > 37 38 O 0.75665400288057 0.83536688005567 0.44918798537998 15.999 > 37 39 O 0.24334599711943 0.33536688005567 0.05081201462002 15.999 > 39 40 O 0.74334599711943 0.33536688005567 0.05081201462002 15.999 > 39 41 O 0.06692676042208 0.25726745589091 0.56963978076962 15.999 > 41 42 O 0.56692676042208 0.25726745589091 0.56963978076962 15.999 > 41 43 O 0.43307323957792 0.75726745589091 0.93036021923038 15.999 > 43 44 O 0.93307323957792 0.75726745589091 0.93036021923038 15.999 > 43 45 O 0.43307323957792 0.74273254410909 0.43036021923038 15.999 > 45 46 O 0.93307323957792 0.74273254410909 0.43036021923038 15.999 > 45 47 O 0.06692676042208 0.24273254410909 0.06963978076962 15.999 > 47 48 O 0.56692676042208 0.24273254410909 0.06963978076962 15.999 > 47 49 O 0.18797244590170 0.43697918392860 0.28176027862063 15.999 > 49 50 O 0.68797244590170 0.43697918392860 0.28176027862063 15.999 > 49 51 O 0.31202755409830 0.93697918392860 0.21823972137937 15.999 > 51 52 O 0.81202755409830 0.93697918392860 0.21823972137937 15.999 > 51 53 O 0.31202755409830 0.56302081607140 0.71823972137937 15.999 > 53 54 O 0.81202755409830 0.56302081607140 0.71823972137937 15.999 > 53 55 O 0.18797244590170 0.06302081607140 0.78176027862063 15.999 > 55 56 O 0.68797244590170 0.06302081607140 0.78176027862063 15.999 > 55 57 O 0.36150858527469 0.41415880284917 0.45832147179199 15.999 > 57 58 O 0.86150858527469 0.41415880284917 0.45832147179199 15.999 > 57 59 O 0.13849141472531 0.91415880284917 0.04167852820801 15.999 > 59 60 O 0.63849141472531 0.91415880284917 0.04167852820801 15.999 > 59 61 O 0.13849141472531 0.58584119715083 0.54167852820801 15.999 > 61 62 O 0.63849141472531 0.58584119715083 0.54167852820801 15.999 > 61 63 O 0.36150858527469 0.08584119715083 0.95832147179199 15.999 > 63 64 O 0.86150858527469 0.08584119715083 0.95832147179199 15.999 > 63 65 Ca 0.00069069400862 0.28724335201325 0.87016912312095 40.078 > 65 66 Ca 0.50069069400862 0.28724335201325 0.87016912312095 40.078 > 65 67 Ca 0.49930930599138 0.78724335201325 0.62983087687905 40.078 > 67 68 Ca 0.99930930599138 0.78724335201325 0.62983087687905 40.078 > 67 69 Ca 0.49930930599138 0.71275664798675 0.12983087687904 40.078 > 69 70 Ca 0.99930930599138 0.71275664798675 0.12983087687904 40.078 > 69 71 Ca 0.00069069400862 0.21275664798676 0.37016912312096 40.078 > 71 72 Ca 0.50069069400862 0.21275664798676 0.37016912312096 40.078 > 71 73 Ca 0.26942297708393 0.26444645846555 0.85329193553205 40.078 > 73 74 Ca 0.76942297708393 0.26444645846555 0.85329193553205 40.078 > 73 75 Ca 0.23057702291607 0.76444645846555 0.64670806446795 40.078 > 75 76 Ca 0.73057702291607 0.76444645846555 0.64670806446795 40.078 > 75 77 Ca 0.23057702291607 0.73555354153445 0.14670806446795 40.078 > 77 78 Ca 0.73057702291607 0.73555354153445 0.14670806446795 40.078 > 77 79 Ca 0.26942297708393 0.23555354153445 0.35329193553205 40.078 > 79 80 Ca 0.76942297708393 0.23555354153445 0.35329193553205 40.078 > 79 81 Ga 0.11866731908671 0.94092694636809 0.87005035419303 69.723 > 81 82 Ga 0.61866731908671 0.94092694636809 0.87005035419303 69.723 > 81 83 Ga 0.38133268091329 0.44092694636809 0.62994964580697 69.723 > 83 84 Ga 0.88133268091329 0.44092694636809 0.62994964580697 69.723 > 83 85 Ga 0.38133268091329 0.05907305363191 0.12994964580697 69.723 > 85 86 Ga 0.88133268091329 0.05907305363191 0.12994964580697 69.723 > 85 87 Ga 0.11866731908671 0.55907305363191 0.37005035419303 69.723 > 87 88 Ga 0.61866731908671 0.55907305363191 0.37005035419303 69.723 > 87 89 Ga 0.41286727469833 0.94623570311424 0.86108911876785 69.723 > 89 90 Ga 0.91286727469833 0.94623570311424 0.86108911876785 69.723 > 89 91 Ga 0.08713272530167 0.44623570311424 0.63891088123215 69.723 > 91 92 Ga 0.58713272530167 0.44623570311424 0.63891088123215 69.723 > 91 93 Ga 0.08713272530167 0.05376429688576 0.13891088123215 69.723 > 93 94 Ga 0.58713272530167 0.05376429688576 0.13891088123215 69.723 > 93 95 Ga 0.41286727469833 0.55376429688576 0.36108911876785 69.723 > 95 96 Ga 0.91286727469833 0.55376429688576 0.36108911876785 69.723 > 95 97 Ga 0.34959958156604 0.09455216128260 0.60922335175494 69.723 > 97 98 Ga 0.84959958156604 0.09455216128260 0.60922335175494 69.723 > 97 99 Ga 0.15040041843396 0.59455216128260 0.89077664824506 69.723 > 99 100 Ga 0.65040041843396 0.59455216128260 0.89077664824506 69.723 > 99 101 Ga 0.15040041843396 0.90544783871740 0.39077664824506 69.723 > 101 102 Ga 0.65040041843396 0.90544783871740 0.39077664824506 69.723 > 101 103 Ga 0.34959958156604 0.40544783871740 0.10922335175494 69.723 > 103 104 Ga 0.84959958156604 0.40544783871740 0.10922335175494 69.723 > 103 105 Ga 0.14455554312398 0.10955445283053 0.61788691498643 69.723 > 105 106 Ga 0.64455554312398 0.10955445283053 0.61788691498643 69.723 > 105 107 Ga 0.35544445687602 0.60955445283053 0.88211308501357 69.723 > 107 108 Ga 0.85544445687602 0.60955445283053 0.88211308501357 69.723 > 107 109 Ga 0.35544445687602 0.89044554716947 0.38211308501357 69.723 > 109 110 Ga 0.85544445687602 0.89044554716947 0.38211308501357 69.723 > 109 111 Ga 0.14455554312398 0.39044554716947 0.11788691498643 69.723 > 111 112 Ga 0.64455554312398 0.39044554716947 0.11788691498643 69.723 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3942864 0.0000000 0.0027710 0.0000000 3.5661853 0.0000000 0.0027722 0.0000000 3.6207993 -------------------------- Born effective charges -------------------------- 1 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 2 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 3 O -2.4639544 0.0545043 0.0299737 0.1010916 -1.9050824 -0.0473559 0.0490799 -0.0637186 -1.4772776 4 O -2.4639544 -0.0545043 0.0299737 -0.1010916 -1.9050824 0.0473559 0.0490799 0.0637186 -1.4772776 5 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 6 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 7 O -1.6155685 -0.3272867 -0.1572943 -0.1743028 -2.3706996 -0.0330510 -0.1015124 -0.0517293 -1.9577604 8 O -1.6155685 0.3272867 -0.1572943 0.1743028 -2.3706996 0.0330510 -0.1015124 0.0517293 -1.9577604 9 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 10 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 11 O -1.7140639 0.0281792 -0.3937413 0.0461642 -1.9104347 0.2239765 -0.3112848 0.2359808 -2.2023147 12 O -1.7140639 -0.0281792 -0.3937413 -0.0461642 -1.9104347 -0.2239765 -0.3112848 -0.2359808 -2.2023147 13 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 14 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 15 O -1.8073977 -0.1885126 0.2907149 -0.2019353 -2.0241457 -0.1747920 0.2396518 -0.2253678 -2.1296046 16 O -1.8073977 0.1885126 0.2907149 0.2019353 -2.0241457 0.1747920 0.2396518 0.2253678 -2.1296046 17 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 18 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 19 O -2.4543420 -0.0663733 0.1751506 -0.1176166 -1.4504242 0.1530162 0.1695876 0.1358890 -1.9498238 20 O -2.4543420 0.0663733 0.1751506 0.1176166 -1.4504242 -0.1530162 0.1695876 -0.1358890 -1.9498238 21 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 22 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 23 O -1.6144678 0.4131220 -0.3205927 0.3155874 -2.3623249 -0.1721054 -0.2253798 -0.2108287 -1.8227787 24 O -1.6144678 -0.4131220 -0.3205927 -0.3155874 -2.3623249 0.1721054 -0.2253798 0.2108287 -1.8227787 25 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 26 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 27 O -1.7660413 0.4805945 0.2659614 0.3897146 -1.9152528 -0.2061427 0.0021777 -0.1914551 -2.1416330 28 O -1.7660413 -0.4805945 0.2659614 -0.3897146 -1.9152528 0.2061427 0.0021777 0.1914551 -2.1416330 29 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 30 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 31 O -1.5723682 -0.4101379 0.0422352 -0.3774959 -1.8094010 0.1266159 0.1230312 0.1113194 -2.4239509 32 O -1.5723682 0.4101379 0.0422352 0.3774959 -1.8094010 -0.1266159 0.1230312 -0.1113194 -2.4239509 33 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 34 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 35 Ca 2.4855484 -0.1338545 0.1695057 -0.0576710 2.4347270 0.0226069 0.1307300 -0.0235293 2.4956991 36 Ca 2.4855484 0.1338545 0.1695057 0.0576710 2.4347270 -0.0226069 0.1307300 0.0235293 2.4956991 37 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 38 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 39 Ca 2.4525306 -0.0553871 0.0700538 -0.1157802 2.4492926 0.2722563 0.0918344 0.2317940 2.4544539 40 Ca 2.4525306 0.0553871 0.0700538 0.1157802 2.4492926 -0.2722563 0.0918344 -0.2317940 2.4544539 41 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 42 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 43 Ga 2.5302184 -0.1948374 -0.1977678 0.0313481 2.7187711 0.0595897 -0.2695711 -0.2440716 2.8549055 44 Ga 2.5302184 0.1948374 -0.1977678 -0.0313481 2.7187711 -0.0595897 -0.2695711 0.2440716 2.8549055 45 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 46 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 47 Ga 2.4601062 0.2423117 -0.0118176 -0.1998604 2.7171340 -0.2001237 -0.0148440 0.2098066 2.7737402 48 Ga 2.4601062 -0.2423117 -0.0118176 0.1998604 2.7171340 0.2001237 -0.0148440 -0.2098066 2.7737402 49 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 50 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 51 Ga 2.4851969 -0.1316743 0.2697618 -0.0197234 2.7018300 0.2739927 0.0261842 -0.0938234 2.8559093 52 Ga 2.4851969 0.1316743 0.2697618 0.0197234 2.7018300 -0.2739927 0.0261842 0.0938234 2.8559093 53 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 54 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 55 Ga 2.5946034 -0.0827119 -0.2321433 -0.2849032 2.7260105 -0.1370962 0.0903152 0.0988145 2.6704356 56 Ga 2.5946034 0.0827119 -0.2321433 0.2849032 2.7260105 0.1370962 0.0903152 -0.0988145 2.6704356 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 6 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: 0.46, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.303 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 13.850 ( 0.000 0.000 0.000) 0.000 13.861 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.159 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 14.815 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.173 ( 0.000 0.000 0.000) 0.000 15.235 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.555 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 15.946 ( 0.000 0.000 0.000) 0.000 16.258 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 16.321 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.409 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 17.444 ( 0.000 0.000 0.000) 0.000 17.532 ( 0.000 0.000 0.000) 0.000 17.795 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 17.891 ( 0.000 0.000 0.000) 0.000 17.989 ( 0.000 0.000 0.000) 0.000 18.127 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.699 ( 0.000 0.000 0.000) 0.000 18.719 ( 0.000 0.000 0.000) 0.000 18.809 ( 0.000 0.000 0.000) 0.000 18.931 ( 0.000 0.000 0.000) 0.000 19.137 ( 0.000 0.000 0.000) 0.000 19.444 ( 0.000 0.000 0.000) 0.000 19.571 ( 0.000 0.000 0.000) 0.000 19.615 ( 0.000 0.000 0.000) 0.000 19.846 ( 0.000 0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 20.446 ( 0.000 0.000 0.000) 0.000 20.568 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 20.904 ( 0.000 0.000 0.000) 0.000 21.185 ( 0.000 0.000 0.000) 0.000 21.309 ( 0.000 0.000 0.000) 0.000 21.383 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.690 ( 0.000 0.000 0.000) 0.000 21.730 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 21.937 ( 0.000 0.000 0.000) 0.000 22.116 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 26.337 0.000 6.667) 27.168 0.651 ( 29.318 0.000 14.497) 32.707 1.039 ( 46.187 0.000 12.301) 47.797 1.576 ( 3.806 0.000 -2.553) 4.583 1.733 ( -3.379 0.000 -1.303) 3.621 2.139 ( 2.788 0.000 0.206) 2.796 2.168 ( 7.535 0.000 0.756) 7.573 2.248 ( -2.593 0.000 -10.296) 10.618 2.299 ( 0.011 0.000 -7.576) 7.576 2.457 ( 3.415 0.000 7.190) 7.960 2.465 ( -0.185 0.000 4.410) 4.414 2.592 ( 1.907 0.000 -1.138) 2.220 2.736 ( 0.698 0.000 -0.948) 1.177 2.776 ( 1.998 0.000 -5.626) 5.970 2.872 ( 0.251 0.000 -0.475) 0.538 3.034 ( -7.616 0.000 -2.538) 8.028 3.114 ( -0.650 0.000 2.088) 2.187 3.186 ( 0.822 0.000 5.692) 5.751 3.270 ( -9.340 0.000 -1.580) 9.473 3.365 ( 1.933 0.000 -2.910) 3.493 3.450 ( -8.464 0.000 -2.654) 8.870 3.599 ( 0.502 0.000 -9.113) 9.126 3.640 ( -3.710 0.000 -4.526) 5.852 3.691 ( 0.122 0.000 10.518) 10.519 3.720 ( 0.035 0.000 -1.730) 1.731 3.764 ( -3.557 0.000 -0.300) 3.569 3.879 ( -4.730 0.000 4.388) 6.452 3.908 ( -0.965 0.000 0.427) 1.056 4.008 ( -3.351 0.000 3.452) 4.811 4.079 ( 4.878 0.000 -3.832) 6.203 4.109 ( -6.582 0.000 -4.995) 8.262 4.232 ( 7.437 0.000 2.413) 7.819 4.292 ( 2.867 0.000 4.465) 5.306 4.352 ( 5.187 0.000 5.727) 7.727 4.391 ( -3.288 0.000 -4.335) 5.441 4.450 ( -3.444 0.000 1.560) 3.781 4.549 ( 2.269 0.000 -10.865) 11.099 4.686 ( 7.125 0.000 -2.979) 7.723 4.744 ( 3.156 0.000 7.119) 7.787 4.896 ( -4.601 0.000 -1.956) 4.999 4.911 ( 12.532 0.000 -1.025) 12.574 4.937 ( -5.822 0.000 5.248) 7.838 5.087 ( -0.937 0.000 2.695) 2.853 5.170 ( 5.411 0.000 3.952) 6.700 5.277 ( -1.492 0.000 -5.313) 5.518 5.363 ( 0.885 0.000 0.913) 1.272 5.388 ( -0.433 0.000 -2.498) 2.535 5.491 ( -14.241 0.000 6.404) 15.615 5.565 ( 2.353 0.000 -6.552) 6.962 5.668 ( -5.828 0.000 7.415) 9.431 5.742 ( 6.353 0.000 -2.098) 6.690 5.803 ( -10.679 0.000 -2.102) 10.884 5.861 ( -6.458 0.000 -4.974) 8.152 5.923 ( -10.962 0.000 -1.301) 11.039 5.941 ( 5.432 0.000 -12.138) 13.298 5.996 ( -2.857 0.000 0.355) 2.879 6.148 ( 6.550 0.000 -2.395) 6.974 6.199 ( 1.186 0.000 -0.050) 1.187 6.369 ( 4.242 0.000 -0.507) 4.273 6.457 ( -2.537 0.000 3.684) 4.473 6.505 ( -0.884 0.000 -6.085) 6.149 6.526 ( -0.642 0.000 -3.237) 3.300 6.691 ( 0.579 0.000 7.319) 7.342 6.694 ( 2.918 0.000 2.277) 3.701 6.767 ( 5.059 0.000 -4.474) 6.753 6.827 ( 4.480 0.000 -14.080) 14.775 6.995 ( -1.268 0.000 17.278) 17.324 7.031 ( -2.436 0.000 -2.430) 3.441 7.054 ( 0.834 0.000 2.579) 2.710 7.225 ( 6.013 0.000 -3.750) 7.087 7.253 ( -0.666 0.000 14.184) 14.200 7.334 ( 3.818 0.000 4.217) 5.689 7.425 ( -1.851 0.000 -0.466) 1.909 7.453 ( -0.742 0.000 11.908) 11.931 7.516 ( -5.843 0.000 -3.462) 6.792 7.642 ( 1.494 0.000 0.643) 1.627 7.693 ( 0.457 0.000 -4.842) 4.863 7.703 ( -11.118 0.000 0.279) 11.122 7.764 ( -2.475 0.000 0.602) 2.547 7.880 ( 4.253 0.000 -8.089) 9.139 8.062 ( 0.888 0.000 10.367) 10.405 8.088 ( -7.617 0.000 2.694) 8.080 8.172 ( 3.418 0.000 14.901) 15.288 8.247 ( -0.370 0.000 -4.020) 4.037 8.380 ( -1.275 0.000 4.093) 4.288 8.426 ( -2.456 0.000 -1.709) 2.992 8.568 ( -2.471 0.000 4.467) 5.105 8.595 ( 7.149 0.000 0.891) 7.204 8.728 ( 2.220 0.000 -13.268) 13.453 8.735 ( 6.522 0.000 6.347) 9.101 8.923 ( -0.755 0.000 -2.017) 2.153 8.985 ( 1.159 0.000 -6.441) 6.544 9.075 ( 2.668 0.000 -9.120) 9.502 9.272 ( 4.614 0.000 2.013) 5.034 9.520 ( -2.128 0.000 -2.126) 3.008 9.579 ( 8.218 0.000 6.138) 10.257 9.917 ( 0.706 0.000 -0.642) 0.954 10.003 ( -0.624 0.000 -2.906) 2.972 10.246 ( -1.166 0.000 -1.939) 2.262 10.430 ( 3.031 0.000 3.712) 4.792 10.740 ( -1.609 0.000 -2.731) 3.170 10.851 ( -5.962 0.000 0.335) 5.971 10.970 ( 3.424 0.000 -47.304) 47.428 11.143 ( 0.860 0.000 -2.873) 2.999 13.812 ( -1.357 0.000 -0.106) 1.362 13.840 ( -1.875 0.000 0.864) 2.064 13.923 ( 2.790 0.000 1.992) 3.429 14.115 ( -2.839 0.000 -0.385) 2.865 14.254 ( 2.899 0.000 3.218) 4.332 14.262 ( -1.607 0.000 2.324) 2.825 14.470 ( -1.801 0.000 -0.246) 1.818 14.493 ( -2.907 0.000 -4.694) 5.521 14.504 ( -1.219 0.000 -2.590) 2.863 14.627 ( 1.128 0.000 3.426) 3.607 14.640 ( 4.879 0.000 -0.405) 4.896 14.830 ( 0.137 0.000 3.196) 3.199 14.957 ( -5.771 0.000 -2.402) 6.251 15.208 ( 2.972 0.000 3.100) 4.295 15.210 ( 1.710 0.000 3.867) 4.228 15.284 ( 0.179 0.000 9.352) 9.353 15.291 ( -0.152 0.000 15.666) 15.667 15.348 ( 4.619 0.000 -0.299) 4.629 15.511 ( -3.679 0.000 -3.182) 4.864 15.552 ( -2.237 0.000 -2.902) 3.664 15.689 ( -0.151 0.000 1.210) 1.219 15.879 ( -4.653 0.000 -2.206) 5.149 15.984 ( -12.164 0.000 -5.328) 13.280 16.163 ( -12.236 0.000 7.653) 14.432 16.375 ( 7.589 0.000 6.828) 10.208 16.563 ( 2.085 0.000 22.425) 22.522 16.624 ( 15.337 0.000 4.594) 16.010 16.644 ( 5.447 0.000 27.218) 27.757 17.172 ( 1.406 0.000 -3.601) 3.865 17.354 ( -7.161 0.000 -2.027) 7.443 17.621 ( -2.997 0.000 -4.391) 5.316 17.738 ( -2.847 0.000 -1.718) 3.325 17.849 ( 0.939 0.000 1.943) 2.158 17.958 ( 2.652 0.000 -0.636) 2.727 17.987 ( -0.355 0.000 -3.766) 3.782 18.116 ( -0.661 0.000 -2.506) 2.591 18.197 ( 0.190 0.000 0.928) 0.947 18.325 ( -0.722 0.000 -1.540) 1.701 18.330 ( 2.756 0.000 0.049) 2.757 18.691 ( -0.551 0.000 -1.327) 1.437 18.731 ( 0.986 0.000 0.418) 1.071 18.935 ( 0.264 0.000 0.192) 0.327 19.091 ( -4.224 0.000 1.397) 4.449 19.429 ( -1.388 0.000 0.271) 1.414 19.466 ( -3.359 0.000 2.990) 4.497 19.781 ( 8.798 0.000 -0.804) 8.835 19.794 ( 1.085 0.000 -20.705) 20.734 19.867 ( 0.576 0.000 -0.457) 0.735 20.041 ( 0.264 0.000 -7.983) 7.988 20.306 ( -9.414 0.000 1.012) 9.468 20.588 ( -0.860 0.000 -2.192) 2.355 20.781 ( -5.387 0.000 7.533) 9.261 20.996 ( 4.113 0.000 -0.218) 4.119 21.259 ( -3.564 0.000 -0.012) 3.564 21.269 ( -1.474 0.000 -8.307) 8.437 21.356 ( -3.251 0.000 2.836) 4.315 21.664 ( 4.029 0.000 -0.417) 4.050 21.707 ( 1.433 0.000 -0.099) 1.437 21.804 ( -0.861 0.000 -0.451) 0.972 21.869 ( 3.781 0.000 -0.168) 3.785 21.929 ( -0.573 0.000 -0.563) 0.803 22.039 ( 3.666 0.000 3.104) 4.804 22.177 ( 4.732 0.000 0.210) 4.737 22.576 ( -0.591 0.000 -6.375) 6.402 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 20.178 0.000 6.677) 21.254 1.269 ( 26.402 0.000 12.807) 29.345 1.660 ( 1.863 0.000 0.690) 1.987 1.738 ( 6.617 0.000 -8.022) 10.399 1.922 ( 33.827 0.000 8.982) 35.000 2.151 ( -2.394 0.000 -6.163) 6.611 2.196 ( -8.008 0.000 -5.736) 9.850 2.255 ( 4.300 0.000 -0.589) 4.340 2.310 ( 1.700 0.000 2.121) 2.718 2.443 ( -0.434 0.000 5.118) 5.136 2.528 ( 1.611 0.000 3.030) 3.432 2.595 ( -14.811 0.000 -4.087) 15.365 2.637 ( 2.027 0.000 -0.980) 2.252 2.799 ( 3.048 0.000 0.879) 3.172 2.890 ( -4.105 0.000 -1.524) 4.379 2.901 ( 1.770 0.000 -3.649) 4.056 3.098 ( -0.487 0.000 0.321) 0.583 3.139 ( -2.329 0.000 4.469) 5.040 3.217 ( -0.780 0.000 4.293) 4.363 3.295 ( -2.714 0.000 -3.742) 4.623 3.422 ( 4.655 0.000 -5.368) 7.105 3.510 ( -5.230 0.000 -9.701) 11.021 3.573 ( -1.924 0.000 -8.410) 8.627 3.662 ( -4.838 0.000 -1.692) 5.126 3.689 ( -10.196 0.000 1.889) 10.370 3.795 ( 4.112 0.000 8.398) 9.350 3.838 ( -8.069 0.000 4.161) 9.079 3.848 ( 7.564 0.000 -0.853) 7.612 3.894 ( -0.152 0.000 1.505) 1.513 4.006 ( -4.351 0.000 3.150) 5.372 4.188 ( 4.569 0.000 2.367) 5.146 4.278 ( -4.716 0.000 12.093) 12.980 4.315 ( 1.179 0.000 -3.552) 3.743 4.401 ( 1.604 0.000 2.486) 2.959 4.446 ( 4.923 0.000 0.375) 4.937 4.469 ( 1.533 0.000 -3.087) 3.447 4.562 ( 1.112 0.000 -5.496) 5.607 4.741 ( -3.540 0.000 7.694) 8.469 4.776 ( -2.819 0.000 -0.794) 2.929 4.842 ( 6.030 0.000 2.712) 6.612 4.965 ( -0.295 0.000 -3.753) 3.765 5.009 ( -4.543 0.000 -9.041) 10.118 5.087 ( -8.305 0.000 -1.165) 8.386 5.148 ( 7.657 0.000 0.444) 7.670 5.179 ( -1.914 0.000 4.216) 4.630 5.374 ( -1.388 0.000 2.743) 3.074 5.408 ( 2.835 0.000 -2.617) 3.858 5.473 ( -5.610 0.000 -6.692) 8.732 5.479 ( 8.619 0.000 10.115) 13.289 5.558 ( -8.114 0.000 -5.834) 9.993 5.743 ( 4.795 0.000 0.532) 4.825 5.758 ( -3.748 0.000 4.007) 5.487 5.823 ( 2.607 0.000 -2.815) 3.837 5.860 ( 4.168 0.000 -6.134) 7.416 5.904 ( -4.247 0.000 -0.374) 4.263 6.002 ( 0.396 0.000 -6.888) 6.899 6.196 ( -0.029 0.000 6.230) 6.230 6.209 ( 0.301 0.000 -10.238) 10.243 6.341 ( -2.918 0.000 -3.231) 4.354 6.384 ( -9.011 0.000 0.394) 9.020 6.458 ( 1.037 0.000 7.817) 7.885 6.472 ( -4.206 0.000 -11.447) 12.195 6.666 ( -4.859 0.000 1.442) 5.068 6.796 ( 3.581 0.000 5.718) 6.746 6.801 ( 6.596 0.000 4.900) 8.216 6.864 ( 0.950 0.000 -7.706) 7.764 6.962 ( -3.181 0.000 1.964) 3.738 7.034 ( -4.562 0.000 3.246) 5.599 7.184 ( 7.804 0.000 2.182) 8.103 7.272 ( 1.179 0.000 6.389) 6.497 7.349 ( -5.445 0.000 -5.397) 7.666 7.361 ( 4.456 0.000 -3.203) 5.488 7.396 ( 2.890 0.000 4.822) 5.621 7.416 ( 1.534 0.000 -0.952) 1.805 7.481 ( 3.257 0.000 1.455) 3.567 7.588 ( -0.578 0.000 3.997) 4.039 7.698 ( 3.464 0.000 -1.680) 3.849 7.751 ( 6.250 0.000 2.224) 6.634 7.766 ( 1.902 0.000 0.647) 2.009 7.907 ( -8.651 0.000 1.712) 8.819 7.952 ( 0.775 0.000 -7.700) 7.739 8.056 ( -3.472 0.000 9.728) 10.329 8.162 ( -7.203 0.000 -2.594) 7.656 8.200 ( -1.366 0.000 9.704) 9.800 8.394 ( 1.282 0.000 -2.020) 2.392 8.402 ( 0.297 0.000 -3.225) 3.239 8.536 ( -1.054 0.000 4.856) 4.969 8.653 ( -0.811 0.000 4.154) 4.232 8.691 ( -5.081 0.000 0.377) 5.095 8.740 ( 0.431 0.000 -1.145) 1.224 9.002 ( 1.645 0.000 -11.318) 11.437 9.084 ( 9.278 0.000 0.359) 9.285 9.142 ( 4.128 0.000 -7.531) 8.588 9.362 ( 2.649 0.000 3.742) 4.585 9.497 ( 0.557 0.000 -0.834) 1.003 9.779 ( 6.060 0.000 5.145) 7.949 9.942 ( 5.340 0.000 -0.309) 5.349 9.983 ( -0.272 0.000 -6.769) 6.775 10.211 ( -2.005 0.000 4.796) 5.198 10.448 ( -5.741 0.000 0.890) 5.810 10.692 ( -2.058 0.000 -2.964) 3.608 10.781 ( 2.012 0.000 4.305) 4.752 10.958 ( 0.734 0.000 -14.200) 14.219 11.129 ( -1.661 0.000 -4.450) 4.750 13.798 ( -1.851 0.000 0.769) 2.004 13.800 ( 0.102 0.000 -0.228) 0.250 13.965 ( 0.590 0.000 1.885) 1.975 14.058 ( -2.272 0.000 0.183) 2.279 14.226 ( -1.380 0.000 0.396) 1.436 14.322 ( 2.680 0.000 2.476) 3.649 14.418 ( -2.405 0.000 -1.907) 3.070 14.444 ( -1.057 0.000 -3.370) 3.532 14.503 ( 1.595 0.000 -0.023) 1.596 14.669 ( 2.598 0.000 -0.211) 2.607 14.754 ( 2.938 0.000 -1.885) 3.491 14.811 ( -2.279 0.000 2.040) 3.059 14.812 ( -4.177 0.000 0.321) 4.190 15.260 ( -0.113 0.000 1.328) 1.332 15.282 ( 2.177 0.000 0.723) 2.294 15.308 ( 1.014 0.000 13.375) 13.414 15.336 ( 2.820 0.000 0.167) 2.825 15.410 ( -0.754 0.000 -3.062) 3.153 15.453 ( 2.824 0.000 0.043) 2.824 15.491 ( -2.464 0.000 -4.764) 5.364 15.695 ( 0.925 0.000 1.423) 1.697 15.757 ( -6.966 0.000 -3.497) 7.794 15.790 ( -4.662 0.000 -0.552) 4.694 15.932 ( -10.243 0.000 2.674) 10.587 16.557 ( 7.608 0.000 7.502) 10.685 16.647 ( 2.513 0.000 17.370) 17.551 16.761 ( 2.663 0.000 -0.889) 2.808 16.908 ( 8.721 0.000 0.919) 8.770 17.213 ( -3.224 0.000 -2.075) 3.834 17.232 ( 5.235 0.000 -4.984) 7.228 17.523 ( -5.862 0.000 0.830) 5.920 17.661 ( -4.844 0.000 -1.498) 5.070 17.874 ( 0.908 0.000 2.188) 2.369 17.970 ( -0.655 0.000 -2.376) 2.464 17.978 ( 0.682 0.000 -0.980) 1.194 18.086 ( -2.030 0.000 -2.755) 3.422 18.204 ( 0.265 0.000 1.224) 1.252 18.305 ( -0.733 0.000 -1.583) 1.745 18.409 ( 3.964 0.000 0.083) 3.965 18.675 ( -0.645 0.000 -1.527) 1.658 18.755 ( 0.983 0.000 0.415) 1.067 18.939 ( 0.011 0.000 -0.453) 0.453 18.996 ( -4.207 0.000 2.697) 4.997 19.397 ( -1.393 0.000 0.287) 1.422 19.453 ( 1.028 0.000 2.174) 2.405 19.784 ( 0.377 0.000 -6.734) 6.745 19.871 ( -0.264 0.000 1.414) 1.439 19.911 ( 1.600 0.000 -1.154) 1.972 20.031 ( -0.027 0.000 -4.567) 4.568 20.169 ( -1.016 0.000 2.626) 2.816 20.507 ( -5.696 0.000 -2.949) 6.414 20.704 ( -2.743 0.000 3.645) 4.562 21.066 ( 2.820 0.000 -0.568) 2.877 21.202 ( -1.346 0.000 -0.531) 1.447 21.212 ( -2.766 0.000 -2.287) 3.589 21.275 ( -4.125 0.000 2.070) 4.615 21.740 ( 1.536 0.000 0.376) 1.581 21.767 ( 4.711 0.000 1.780) 5.036 21.792 ( -0.222 0.000 -1.009) 1.033 21.911 ( -0.974 0.000 -1.717) 1.974 21.944 ( 2.783 0.000 -0.140) 2.787 22.123 ( 3.358 0.000 1.032) 3.513 22.273 ( 3.663 0.000 0.290) 3.675 22.546 ( -1.228 0.000 -2.414) 2.708 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 -0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 -0.000) 0.000 2.444 ( 0.000 0.000 -0.000) 0.000 2.491 ( -0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 -0.000) 0.000 2.862 ( 0.000 0.000 -0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 -0.000) 0.000 3.130 ( 0.000 0.000 -0.000) 0.000 3.240 ( 0.000 0.000 -0.000) 0.000 3.276 ( -0.000 0.000 -0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 -0.000) 0.000 3.507 ( 0.000 0.000 -0.000) 0.000 3.517 ( -0.000 0.000 -0.000) 0.000 3.615 ( 0.000 0.000 -0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.941 ( -0.000 0.000 -0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.015 ( -0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 -0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 -0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 -0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.611 ( -0.000 0.000 -0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 -0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.997 ( -0.000 0.000 -0.000) 0.000 5.019 ( 0.000 0.000 -0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 -0.000) 0.000 5.358 ( 0.000 0.000 -0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 -0.000) 0.000 5.462 ( 0.000 0.000 -0.000) 0.000 5.619 ( 0.000 0.000 -0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 -0.000) 0.000 5.933 ( -0.000 0.000 -0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 -0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.346 ( -0.000 0.000 -0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 -0.000) 0.000 6.903 ( 0.000 0.000 -0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 -0.000) 0.000 7.524 ( -0.000 0.000 0.000) 0.000 7.569 ( 0.000 0.000 -0.000) 0.000 7.612 ( 0.000 0.000 -0.000) 0.000 7.750 ( 0.000 0.000 -0.000) 0.000 7.765 ( -0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 7.877 ( -0.000 0.000 -0.000) 0.000 8.008 ( -0.000 0.000 -0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 -0.000) 0.000 8.402 ( 0.000 0.000 -0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 -0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.746 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 -0.000) 0.000 9.179 ( 0.000 0.000 -0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 -0.000) 0.000 9.800 ( 0.000 0.000 -0.000) 0.000 9.974 ( 0.000 0.000 -0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.663 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 -0.000) 0.000 10.952 ( 0.000 0.000 -0.000) 0.000 11.088 ( 0.000 0.000 -0.000) 0.000 13.777 ( 0.000 0.000 -0.000) 0.000 13.804 ( 0.000 0.000 -0.000) 0.000 13.966 ( 0.000 0.000 0.000) 0.000 14.032 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.364 ( 0.000 0.000 0.000) 0.000 14.377 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 14.548 ( 0.000 0.000 -0.000) 0.000 14.681 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 -0.000) 0.000 14.769 ( 0.000 0.000 0.000) 0.000 14.862 ( 0.000 0.000 -0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 -0.000) 0.000 15.354 ( 0.000 0.000 0.000) 0.000 15.365 ( 0.000 0.000 0.000) 0.000 15.415 ( 0.000 0.000 0.000) 0.000 15.457 ( 0.000 0.000 -0.000) 0.000 15.508 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 -0.000) 0.000 15.734 ( 0.000 0.000 -0.000) 0.000 15.751 ( -0.000 0.000 0.000) 0.000 15.770 ( 0.000 0.000 -0.000) 0.000 16.665 ( 0.000 0.000 -0.000) 0.000 16.703 ( 0.000 0.000 0.000) 0.000 16.773 ( 0.000 0.000 -0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 17.242 ( 0.000 0.000 -0.000) 0.000 17.334 ( 0.000 0.000 -0.000) 0.000 17.414 ( -0.000 0.000 0.000) 0.000 17.575 ( 0.000 0.000 -0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 -0.000) 0.000 18.002 ( -0.000 0.000 -0.000) 0.000 18.040 ( 0.000 0.000 -0.000) 0.000 18.209 ( 0.000 0.000 0.000) 0.000 18.295 ( 0.000 0.000 -0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.664 ( 0.000 0.000 -0.000) 0.000 18.767 ( 0.000 0.000 -0.000) 0.000 18.938 ( -0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 -0.000) 0.000 19.381 ( 0.000 0.000 -0.000) 0.000 19.476 ( 0.000 0.000 -0.000) 0.000 19.784 ( 0.000 0.000 -0.000) 0.000 19.867 ( 0.000 0.000 0.000) 0.000 19.891 ( 0.000 0.000 -0.000) 0.000 20.026 ( 0.000 0.000 0.000) 0.000 20.220 ( 0.000 0.000 0.000) 0.000 20.407 ( -0.000 0.000 -0.000) 0.000 20.678 ( 0.000 0.000 -0.000) 0.000 21.106 ( 0.000 0.000 0.000) 0.000 21.168 ( 0.000 0.000 -0.000) 0.000 21.201 ( 0.000 0.000 -0.000) 0.000 21.217 ( -0.000 0.000 0.000) 0.000 21.761 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 -0.000) 0.000 21.834 ( 0.000 0.000 -0.000) 0.000 21.887 ( 0.000 0.000 0.000) 0.000 21.974 ( 0.000 0.000 -0.000) 0.000 22.163 ( 0.000 0.000 -0.000) 0.000 22.314 ( 0.000 0.000 -0.000) 0.000 22.529 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 0.000 17.798 0.000) 17.798 0.425 ( 0.000 24.036 0.000) 24.036 0.859 ( 0.000 44.377 0.000) 44.377 1.480 ( 0.000 -6.327 0.000) 6.327 1.810 ( 0.000 2.369 0.000) 2.369 1.950 ( 0.000 -11.506 0.000) 11.506 1.968 ( 0.000 -11.743 0.000) 11.743 2.317 ( 0.000 4.490 0.000) 4.490 2.358 ( 0.000 1.891 0.000) 1.891 2.498 ( 0.000 10.428 0.000) 10.428 2.574 ( 0.000 -6.630 0.000) 6.630 2.592 ( 0.000 6.378 0.000) 6.378 2.679 ( 0.000 13.164 0.000) 13.164 2.819 ( 0.000 3.894 0.000) 3.894 2.875 ( 0.000 3.024 0.000) 3.024 3.019 ( 0.000 -10.942 0.000) 10.942 3.067 ( 0.000 -2.519 0.000) 2.519 3.195 ( 0.000 3.923 0.000) 3.923 3.360 ( 0.000 -3.335 0.000) 3.335 3.419 ( 0.000 0.058 0.000) 0.058 3.476 ( 0.000 -4.192 0.000) 4.192 3.616 ( 0.000 2.435 0.000) 2.435 3.632 ( 0.000 -5.497 0.000) 5.497 3.752 ( 0.000 -2.438 0.000) 2.438 3.776 ( 0.000 -3.741 0.000) 3.741 3.810 ( 0.000 -5.285 0.000) 5.285 3.824 ( 0.000 8.567 0.000) 8.567 3.908 ( 0.000 1.360 0.000) 1.360 4.033 ( 0.000 -2.069 0.000) 2.069 4.053 ( 0.000 2.271 0.000) 2.271 4.104 ( 0.000 -9.077 0.000) 9.077 4.225 ( 0.000 3.556 0.000) 3.556 4.234 ( 0.000 -5.940 0.000) 5.940 4.332 ( 0.000 -3.588 0.000) 3.588 4.384 ( 0.000 -8.927 0.000) 8.927 4.419 ( 0.000 6.920 0.000) 6.920 4.428 ( 0.000 5.706 0.000) 5.706 4.651 ( 0.000 -4.495 0.000) 4.495 4.697 ( 0.000 1.034 0.000) 1.034 4.781 ( 0.000 -3.406 0.000) 3.406 4.938 ( 0.000 -8.740 0.000) 8.740 5.042 ( 0.000 3.125 0.000) 3.125 5.054 ( 0.000 -3.315 0.000) 3.315 5.172 ( 0.000 -1.628 0.000) 1.628 5.305 ( 0.000 10.546 0.000) 10.546 5.375 ( 0.000 -14.212 0.000) 14.212 5.453 ( 0.000 -0.945 0.000) 0.945 5.549 ( 0.000 -3.359 0.000) 3.359 5.549 ( 0.000 -7.766 0.000) 7.766 5.624 ( 0.000 -10.495 0.000) 10.495 5.742 ( 0.000 -10.336 0.000) 10.336 5.834 ( 0.000 -1.413 0.000) 1.413 5.908 ( 0.000 -8.318 0.000) 8.318 5.912 ( 0.000 -7.743 0.000) 7.743 5.981 ( 0.000 -5.795 0.000) 5.795 6.025 ( 0.000 5.439 0.000) 5.439 6.131 ( 0.000 -4.161 0.000) 4.161 6.200 ( 0.000 6.057 0.000) 6.057 6.228 ( 0.000 -1.574 0.000) 1.574 6.271 ( 0.000 4.239 0.000) 4.239 6.481 ( 0.000 -1.093 0.000) 1.093 6.566 ( 0.000 -0.295 0.000) 0.295 6.580 ( 0.000 1.970 0.000) 1.970 6.718 ( 0.000 3.472 0.000) 3.472 6.779 ( 0.000 3.998 0.000) 3.998 6.882 ( 0.000 2.345 0.000) 2.345 7.009 ( 0.000 3.360 0.000) 3.360 7.024 ( 0.000 1.188 0.000) 1.188 7.152 ( 0.000 4.223 0.000) 4.223 7.185 ( 0.000 2.382 0.000) 2.382 7.258 ( 0.000 -2.846 0.000) 2.846 7.268 ( 0.000 11.193 0.000) 11.193 7.418 ( 0.000 0.256 0.000) 0.256 7.454 ( 0.000 -7.122 0.000) 7.122 7.491 ( 0.000 -3.090 0.000) 3.090 7.561 ( 0.000 -6.499 0.000) 6.499 7.727 ( 0.000 7.504 0.000) 7.504 7.752 ( 0.000 -3.825 0.000) 3.825 7.923 ( 0.000 4.591 0.000) 4.591 7.995 ( 0.000 3.510 0.000) 3.510 7.996 ( 0.000 5.670 0.000) 5.670 8.120 ( 0.000 7.605 0.000) 7.605 8.243 ( 0.000 -4.855 0.000) 4.855 8.358 ( 0.000 5.844 0.000) 5.844 8.417 ( 0.000 3.512 0.000) 3.512 8.458 ( 0.000 5.495 0.000) 5.495 8.515 ( 0.000 1.594 0.000) 1.594 8.571 ( 0.000 -0.158 0.000) 0.158 8.671 ( 0.000 3.137 0.000) 3.137 8.699 ( 0.000 -15.127 0.000) 15.127 8.980 ( 0.000 0.471 0.000) 0.471 9.041 ( 0.000 -0.338 0.000) 0.338 9.072 ( 0.000 4.665 0.000) 4.665 9.301 ( 0.000 6.542 0.000) 6.542 9.340 ( 0.000 -3.813 0.000) 3.813 9.678 ( 0.000 -13.078 0.000) 13.078 9.841 ( 0.000 15.506 0.000) 15.506 9.948 ( 0.000 -0.661 0.000) 0.661 9.979 ( 0.000 -3.504 0.000) 3.504 10.249 ( 0.000 -5.080 0.000) 5.080 10.620 ( 0.000 10.938 0.000) 10.938 10.770 ( 0.000 1.039 0.000) 1.039 10.924 ( 0.000 -0.148 0.000) 0.148 11.132 ( 0.000 -1.824 0.000) 1.824 13.892 ( 0.000 2.887 0.000) 2.887 13.902 ( 0.000 5.007 0.000) 5.007 14.161 ( 0.000 0.267 0.000) 0.267 14.201 ( 0.000 -0.509 0.000) 0.509 14.210 ( 0.000 0.632 0.000) 0.632 14.270 ( 0.000 -1.780 0.000) 1.780 14.441 ( 0.000 -3.344 0.000) 3.344 14.518 ( 0.000 -2.161 0.000) 2.161 14.555 ( 0.000 -0.294 0.000) 0.294 14.572 ( 0.000 0.564 0.000) 0.564 14.663 ( 0.000 5.813 0.000) 5.813 14.800 ( 0.000 -1.199 0.000) 1.199 14.997 ( 0.000 -1.514 0.000) 1.514 15.055 ( 0.000 0.957 0.000) 0.957 15.176 ( 0.000 0.094 0.000) 0.094 15.259 ( 0.000 1.872 0.000) 1.872 15.276 ( 0.000 0.719 0.000) 0.719 15.465 ( 0.000 -2.046 0.000) 2.046 15.538 ( 0.000 -1.930 0.000) 1.930 15.663 ( 0.000 -2.230 0.000) 2.230 15.760 ( 0.000 2.878 0.000) 2.878 15.792 ( 0.000 2.732 0.000) 2.732 16.150 ( 0.000 -2.058 0.000) 2.058 16.247 ( 0.000 -1.252 0.000) 1.252 16.293 ( 0.000 -1.469 0.000) 1.469 16.392 ( 0.000 -0.968 0.000) 0.968 16.485 ( 0.000 6.374 0.000) 6.374 17.058 ( 0.000 -5.551 0.000) 5.551 17.244 ( 0.000 4.757 0.000) 4.757 17.452 ( 0.000 0.762 0.000) 0.762 17.549 ( 0.000 1.800 0.000) 1.800 17.822 ( 0.000 -1.361 0.000) 1.361 17.854 ( 0.000 -2.901 0.000) 2.901 17.874 ( 0.000 -1.616 0.000) 1.616 18.016 ( 0.000 1.944 0.000) 1.944 18.072 ( 0.000 -3.400 0.000) 3.400 18.263 ( 0.000 0.362 0.000) 0.362 18.313 ( 0.000 8.084 0.000) 8.084 18.433 ( 0.000 -2.019 0.000) 2.019 18.698 ( 0.000 -0.173 0.000) 0.173 18.721 ( 0.000 0.145 0.000) 0.145 18.793 ( 0.000 -1.611 0.000) 1.611 19.148 ( 0.000 1.155 0.000) 1.155 19.270 ( 0.000 -0.733 0.000) 0.733 19.471 ( 0.000 2.753 0.000) 2.753 19.620 ( 0.000 0.569 0.000) 0.569 19.844 ( 0.000 -1.284 0.000) 1.284 19.857 ( 0.000 0.939 0.000) 0.939 20.169 ( 0.000 0.185 0.000) 0.185 20.343 ( 0.000 -8.311 0.000) 8.311 20.640 ( 0.000 3.302 0.000) 3.302 20.878 ( 0.000 -2.615 0.000) 2.615 21.168 ( 0.000 -1.475 0.000) 1.475 21.204 ( 0.000 -2.084 0.000) 2.084 21.408 ( 0.000 2.259 0.000) 2.259 21.521 ( 0.000 -1.539 0.000) 1.539 21.640 ( 0.000 1.503 0.000) 1.503 21.706 ( 0.000 1.135 0.000) 1.135 21.738 ( 0.000 0.860 0.000) 0.860 21.822 ( 0.000 0.270 0.000) 0.270 21.932 ( 0.000 -0.555 0.000) 0.555 21.970 ( 0.000 -1.578 0.000) 1.578 22.149 ( 0.000 -0.718 0.000) 0.718 22.156 ( 0.000 -0.747 0.000) 0.747 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 21.011 7.643 4.583) 22.823 0.791 ( 24.620 11.620 20.516) 34.089 1.259 ( 26.476 20.006 0.352) 33.186 1.537 ( 6.429 -4.567 -0.354) 7.894 1.732 ( -1.734 -0.077 -2.034) 2.674 1.980 ( 4.929 -9.121 0.521) 10.380 2.106 ( 3.628 -9.187 0.452) 9.888 2.236 ( -3.139 0.122 -8.992) 9.525 2.351 ( 2.219 2.023 1.486) 3.350 2.480 ( -4.844 1.928 5.665) 7.699 2.500 ( 0.762 6.803 -0.053) 6.845 2.673 ( 0.260 4.044 -2.570) 4.799 2.734 ( 3.151 3.729 -3.522) 6.019 2.843 ( 0.162 6.574 2.488) 7.031 2.880 ( 1.035 1.555 -1.474) 2.380 2.980 ( 1.044 -11.772 -2.220) 12.025 3.064 ( -7.308 0.644 -3.786) 8.255 3.087 ( 0.661 -2.563 1.681) 3.136 3.292 ( -6.933 1.635 3.135) 7.783 3.347 ( -5.014 -2.664 4.044) 6.970 3.459 ( -3.020 -1.006 -4.848) 5.800 3.558 ( -2.385 -3.659 -0.497) 4.396 3.628 ( -1.480 -3.802 -5.443) 6.802 3.709 ( -3.375 0.688 7.598) 8.343 3.742 ( -3.687 2.927 -0.295) 4.717 3.793 ( 1.596 5.620 2.779) 6.470 3.884 ( 3.077 -3.633 2.345) 5.307 3.917 ( -2.477 3.121 1.241) 4.173 4.010 ( -7.491 -3.258 2.907) 8.671 4.051 ( -2.711 -5.028 -5.238) 7.750 4.123 ( 2.417 3.896 -3.689) 5.885 4.188 ( 3.094 -9.539 -6.550) 11.978 4.261 ( 1.342 -3.851 -4.967) 6.427 4.317 ( 3.289 -0.405 2.465) 4.130 4.364 ( 1.597 -2.886 0.985) 3.442 4.453 ( 1.457 3.160 8.447) 9.136 4.531 ( 4.336 -1.879 5.427) 7.196 4.578 ( -0.699 0.790 -5.610) 5.708 4.774 ( 6.015 1.315 1.291) 6.291 4.885 ( -7.540 -2.155 6.239) 10.021 4.916 ( 1.884 -0.753 -1.536) 2.545 4.937 ( -1.134 -8.814 0.651) 8.910 5.080 ( 5.115 2.807 -5.603) 8.090 5.192 ( -0.218 -1.694 -1.507) 2.278 5.294 ( 2.374 5.389 -0.770) 5.938 5.354 ( -6.657 -2.401 1.411) 7.216 5.377 ( -2.060 -9.029 3.960) 10.072 5.497 ( 2.838 -1.735 -7.815) 8.494 5.570 ( 1.353 -1.829 2.831) 3.632 5.649 ( -5.277 0.565 -3.329) 6.265 5.697 ( 2.492 -6.659 3.212) 7.802 5.761 ( -6.537 0.021 -7.316) 9.811 5.871 ( -0.139 -6.258 1.697) 6.486 5.921 ( -1.507 -4.097 -2.343) 4.954 5.953 ( -2.110 3.349 4.184) 5.760 6.012 ( -3.602 8.538 -7.953) 12.211 6.044 ( -1.826 -1.823 -4.180) 4.912 6.163 ( 2.644 -1.971 0.210) 3.305 6.288 ( 0.879 -10.312 3.064) 10.793 6.396 ( 1.524 -6.982 3.429) 7.926 6.477 ( -0.032 -1.148 -1.980) 2.289 6.562 ( 4.786 4.897 -3.409) 7.649 6.605 ( -3.321 -6.257 10.426) 12.605 6.707 ( 1.054 -1.738 1.307) 2.417 6.795 ( -2.458 0.134 -6.964) 7.386 6.859 ( 2.754 4.408 -10.350) 11.582 6.984 ( -2.696 6.013 -0.817) 6.640 7.070 ( -6.151 -1.047 0.569) 6.266 7.113 ( 1.910 -6.853 3.096) 7.758 7.137 ( -3.759 2.358 3.784) 5.832 7.273 ( 1.584 0.958 6.240) 6.508 7.331 ( -3.682 -2.712 2.171) 5.062 7.342 ( 6.746 2.253 0.259) 7.117 7.441 ( 0.101 -1.164 1.741) 2.097 7.511 ( -4.172 0.133 -0.255) 4.182 7.559 ( 3.528 -4.289 0.806) 5.612 7.661 ( 0.703 -0.530 -3.928) 4.026 7.864 ( 2.194 3.936 -0.543) 4.539 7.892 ( -3.503 9.617 4.308) 11.105 7.954 ( 0.128 8.533 -5.723) 10.275 8.016 ( -1.221 -2.791 7.352) 7.958 8.155 ( -1.177 5.332 1.108) 5.572 8.224 ( -2.451 5.166 10.733) 12.161 8.277 ( 0.572 2.896 0.367) 2.974 8.389 ( -5.374 2.672 2.295) 6.425 8.505 ( -1.373 2.390 0.021) 2.757 8.537 ( -0.992 0.821 4.157) 4.352 8.609 ( 8.651 -0.991 -1.862) 8.904 8.659 ( 1.936 -5.334 -6.536) 8.655 8.724 ( 1.790 -0.571 2.923) 3.475 8.912 ( -3.425 0.260 -0.914) 3.555 9.104 ( 3.628 3.505 -5.013) 7.111 9.127 ( 6.294 9.450 -6.270) 12.970 9.337 ( 2.982 5.495 0.059) 6.252 9.382 ( 4.906 -5.698 2.063) 7.797 9.695 ( 0.042 -6.350 -2.662) 6.885 9.863 ( 1.710 5.125 5.045) 7.392 9.971 ( -0.173 -3.213 -3.243) 4.569 10.205 ( 7.300 -1.876 -2.866) 8.064 10.450 ( 11.491 -11.286 -12.497) 20.386 10.646 ( 4.213 -0.709 -3.156) 5.311 10.762 ( -0.774 0.238 2.740) 2.857 10.856 ( -5.018 0.740 0.137) 5.074 11.147 ( 0.900 -1.731 -4.145) 4.581 13.853 ( -1.467 4.719 -1.167) 5.077 13.945 ( 1.580 2.331 2.508) 3.771 14.014 ( -9.033 7.355 -3.021) 12.034 14.124 ( -2.403 0.952 -0.273) 2.599 14.245 ( 2.578 -0.919 3.592) 4.516 14.255 ( -1.295 -0.740 3.000) 3.351 14.463 ( 0.548 -0.666 -4.629) 4.708 14.481 ( -1.863 -0.860 -4.523) 4.967 14.538 ( -1.520 1.220 -2.491) 3.163 14.614 ( 1.717 0.088 4.701) 5.006 14.679 ( 0.289 2.294 -0.454) 2.356 14.810 ( 1.251 -0.795 1.715) 2.267 14.974 ( -4.415 -1.152 2.921) 5.418 15.079 ( 3.629 -1.898 2.314) 4.704 15.212 ( 2.953 0.080 2.105) 3.628 15.270 ( 1.615 -0.757 1.421) 2.281 15.340 ( 3.799 0.411 2.372) 4.498 15.445 ( -5.457 2.349 1.019) 6.028 15.460 ( -0.199 -0.454 -1.556) 1.633 15.573 ( -4.585 -0.106 -4.924) 6.729 15.714 ( -0.597 2.351 0.779) 2.548 15.889 ( -0.268 0.951 1.345) 1.669 15.977 ( -9.402 -0.176 -2.268) 9.674 16.176 ( -12.042 1.342 4.755) 13.016 16.332 ( 6.975 -2.581 5.301) 9.133 16.513 ( 11.501 -1.856 5.787) 13.008 16.655 ( 8.749 3.114 -4.124) 10.161 16.903 ( -8.120 12.088 23.707) 27.823 17.148 ( 0.566 -0.879 -0.134) 1.054 17.392 ( -5.443 2.916 -0.383) 6.187 17.613 ( -2.551 -0.745 -0.946) 2.821 17.743 ( -4.832 0.029 -1.189) 4.976 17.824 ( 0.697 -1.994 0.970) 2.324 17.890 ( 0.740 -4.248 -0.251) 4.319 18.040 ( 1.234 2.655 -2.789) 4.044 18.073 ( 0.392 -2.579 -1.151) 2.852 18.232 ( -1.160 1.654 1.100) 2.300 18.349 ( 0.144 3.518 -2.673) 4.420 18.380 ( 1.324 3.446 -0.229) 3.699 18.706 ( -0.405 1.136 -0.473) 1.296 18.730 ( 0.847 -0.033 0.516) 0.992 18.895 ( 3.629 -3.916 -0.362) 5.351 19.101 ( -4.308 1.057 1.228) 4.603 19.320 ( 1.595 -7.224 -3.094) 8.019 19.481 ( -0.116 1.879 0.262) 1.901 19.665 ( 4.781 -2.709 -6.718) 8.679 19.829 ( -1.192 -0.162 1.035) 1.587 19.869 ( 1.108 0.192 -0.104) 1.129 20.101 ( -1.852 1.923 -0.959) 2.837 20.330 ( -4.860 -2.969 -4.288) 7.129 20.561 ( -3.506 1.494 0.401) 3.831 20.813 ( -6.776 -0.567 2.943) 7.409 21.066 ( -1.892 5.126 1.902) 5.785 21.231 ( -4.431 -0.397 -6.483) 7.863 21.271 ( -0.285 -1.099 1.612) 1.972 21.374 ( -5.538 1.246 -1.325) 5.829 21.659 ( 2.393 -0.041 -0.445) 2.434 21.718 ( 1.323 0.630 -0.336) 1.504 21.792 ( 0.727 -0.600 -0.457) 1.048 21.884 ( 3.075 1.274 0.276) 3.340 21.921 ( -0.609 -0.865 -0.323) 1.106 22.009 ( 4.065 -2.629 2.336) 5.376 22.181 ( 4.908 0.474 0.223) 4.936 22.432 ( 8.196 -9.185 -2.739) 12.611 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 21.498 1.772 7.043) 22.691 1.363 ( 24.779 6.382 17.184) 30.823 1.546 ( 3.988 -5.108 -4.702) 8.006 1.729 ( 9.473 -1.056 -4.645) 10.603 1.901 ( 3.894 -9.052 -1.712) 10.001 2.058 ( 4.461 -5.790 2.695) 7.791 2.100 ( 2.643 -5.656 -3.301) 7.062 2.255 ( 2.141 0.814 -5.875) 6.306 2.345 ( -1.737 0.668 4.791) 5.140 2.414 ( -1.752 -5.803 3.251) 6.878 2.527 ( -3.548 1.889 3.845) 5.562 2.578 ( -5.325 -0.892 0.472) 5.420 2.714 ( -3.062 7.387 -5.702) 9.822 2.829 ( 0.841 7.411 0.155) 7.460 2.916 ( 2.946 4.033 -5.589) 7.496 3.005 ( 2.042 -2.933 -0.320) 3.588 3.039 ( 3.121 -0.925 -3.107) 4.499 3.134 ( -3.271 -2.294 4.341) 5.899 3.185 ( 3.934 -1.855 0.650) 4.398 3.238 ( -6.425 3.201 2.422) 7.576 3.394 ( 0.334 -6.445 -2.971) 7.104 3.483 ( -5.553 -2.061 -6.153) 8.541 3.535 ( -3.717 -4.720 2.012) 6.336 3.675 ( -3.685 -0.985 -3.898) 5.454 3.682 ( -5.282 -3.072 3.899) 7.248 3.735 ( -6.427 2.673 0.263) 6.966 3.838 ( -0.406 1.582 -2.346) 2.858 3.848 ( -3.694 -1.456 2.029) 4.458 3.950 ( -1.902 0.716 1.480) 2.514 4.014 ( 2.821 4.796 3.168) 6.403 4.177 ( 1.785 -6.661 -2.206) 7.240 4.276 ( 7.586 1.038 -0.915) 7.711 4.307 ( 1.687 -8.861 -0.341) 9.026 4.372 ( 1.500 -2.144 1.196) 2.877 4.420 ( -1.485 5.238 1.204) 5.576 4.486 ( 2.458 4.236 6.565) 8.190 4.602 ( 3.553 2.696 -1.264) 4.636 4.659 ( 3.398 -6.998 5.112) 9.309 4.726 ( -3.768 -1.955 5.978) 7.332 4.864 ( 1.013 1.875 -1.298) 2.496 4.880 ( -2.485 -5.784 -3.662) 7.283 4.947 ( 1.508 -7.899 0.300) 8.047 5.103 ( -5.430 2.946 -5.358) 8.178 5.210 ( -5.371 0.680 -0.299) 5.422 5.237 ( 2.076 6.941 -2.732) 7.743 5.354 ( 5.538 -1.190 -2.032) 6.018 5.387 ( -0.712 -4.961 2.400) 5.557 5.512 ( -4.537 5.083 1.359) 6.948 5.557 ( 0.448 -1.977 -2.077) 2.902 5.571 ( -0.942 3.787 -3.954) 5.555 5.667 ( 3.172 0.743 0.092) 3.259 5.776 ( 2.234 -3.175 3.710) 5.370 5.828 ( 0.940 -3.345 0.804) 3.566 5.904 ( 3.198 1.944 -4.503) 5.855 5.942 ( 2.278 5.663 5.442) 8.178 6.013 ( -2.189 1.543 -9.147) 9.531 6.121 ( 4.303 -3.472 -4.328) 7.022 6.200 ( -0.370 -1.901 2.526) 3.183 6.248 ( -1.339 -11.586 0.015) 11.663 6.301 ( -10.162 -2.328 -0.477) 10.436 6.380 ( -5.776 -3.040 0.262) 6.533 6.555 ( -3.297 -4.285 -3.691) 6.546 6.628 ( 1.826 -3.424 2.127) 4.425 6.680 ( -2.560 -0.799 -3.888) 4.723 6.750 ( -2.736 -6.301 -11.056) 13.016 6.847 ( 1.755 -0.419 7.182) 7.405 6.976 ( -1.863 -6.351 1.694) 6.832 7.035 ( -1.295 3.307 1.132) 3.727 7.057 ( 0.870 -5.151 4.140) 6.666 7.182 ( -0.504 -9.148 2.842) 9.592 7.250 ( 2.830 -4.996 4.106) 7.059 7.325 ( -4.907 -2.706 3.877) 6.814 7.408 ( 4.112 0.638 -5.663) 7.027 7.473 ( 1.913 5.497 -6.213) 8.513 7.515 ( 6.174 -0.546 1.871) 6.475 7.625 ( 2.654 2.057 2.540) 4.210 7.752 ( 6.080 2.816 0.154) 6.702 7.828 ( -5.231 2.508 6.518) 8.726 7.887 ( -2.451 0.540 -2.472) 3.523 7.891 ( 0.668 13.819 -0.022) 13.835 8.015 ( 1.193 3.058 -2.182) 3.942 8.097 ( -5.607 4.523 3.481) 8.001 8.213 ( 0.488 1.966 6.298) 6.615 8.268 ( -4.835 -4.402 0.653) 6.571 8.295 ( -4.209 8.936 3.501) 10.479 8.447 ( 0.082 1.834 -6.372) 6.631 8.539 ( 0.341 1.057 4.214) 4.358 8.677 ( 0.252 0.144 1.989) 2.010 8.723 ( 1.772 4.721 4.813) 6.971 8.783 ( 0.993 2.264 -1.887) 3.110 8.904 ( 4.053 -5.902 -6.283) 9.526 9.127 ( 0.206 1.492 -4.561) 4.803 9.213 ( 1.751 6.105 -4.112) 7.566 9.383 ( 1.563 1.749 1.774) 2.941 9.549 ( 7.026 4.413 -0.538) 8.314 9.718 ( 1.665 -7.103 2.222) 7.627 9.955 ( 6.995 3.916 3.310) 8.673 9.980 ( 3.000 -0.003 -6.099) 6.797 10.285 ( 0.544 4.939 2.565) 5.592 10.466 ( -6.118 1.175 -1.302) 6.365 10.684 ( -1.252 -1.447 -5.751) 6.061 10.765 ( 1.681 -7.082 1.272) 7.389 10.825 ( 2.350 -2.000 0.074) 3.086 11.134 ( -1.327 -1.326 -5.053) 5.390 13.830 ( -0.950 4.537 -0.283) 4.644 13.893 ( -2.516 5.841 0.005) 6.360 13.964 ( -0.344 0.085 1.897) 1.930 14.077 ( -1.882 1.900 0.571) 2.735 14.225 ( -1.362 -0.242 0.459) 1.458 14.309 ( 2.515 -1.661 2.678) 4.032 14.431 ( -1.305 1.316 -3.840) 4.264 14.455 ( -0.670 1.418 -2.502) 2.953 14.517 ( 0.283 0.917 -0.721) 1.200 14.655 ( 1.774 -0.992 1.706) 2.653 14.713 ( 1.826 -2.570 0.213) 3.160 14.764 ( -4.854 -1.306 -1.395) 5.217 14.925 ( 0.187 5.944 1.691) 6.182 15.169 ( 3.693 -4.679 4.533) 7.488 15.268 ( 1.839 -1.494 0.252) 2.382 15.304 ( -2.816 -2.211 3.253) 4.837 15.354 ( 0.493 0.899 -1.462) 1.786 15.419 ( 1.778 -1.618 -0.828) 2.543 15.468 ( 0.643 1.794 -0.685) 2.025 15.484 ( -1.274 1.228 -3.180) 3.639 15.711 ( 0.577 1.736 0.537) 1.906 15.800 ( -6.211 3.435 -0.959) 7.162 15.849 ( -2.416 4.841 -0.367) 5.423 15.945 ( -10.163 1.592 2.370) 10.557 16.508 ( 7.160 -2.662 6.022) 9.726 16.680 ( 2.517 -0.276 13.089) 13.331 16.776 ( 4.058 3.615 -7.769) 9.481 16.955 ( 6.862 3.101 8.675) 11.488 17.214 ( 5.468 -1.857 -3.991) 7.020 17.260 ( -5.142 5.118 -1.615) 7.432 17.483 ( -7.726 -3.675 1.817) 8.747 17.665 ( -4.237 -0.098 -1.340) 4.445 17.846 ( 0.808 -2.491 1.029) 2.814 17.887 ( -0.111 -4.526 -0.579) 4.564 18.044 ( 0.054 2.685 -2.660) 3.780 18.078 ( -0.191 -0.262 -1.010) 1.060 18.213 ( -0.880 0.684 0.966) 1.475 18.333 ( -0.367 2.080 -1.827) 2.793 18.450 ( 3.627 4.703 -0.682) 5.978 18.693 ( -0.526 1.614 -0.934) 1.938 18.752 ( 0.908 -0.253 0.424) 1.034 18.935 ( 0.924 -0.584 -0.393) 1.162 19.004 ( -4.348 0.927 2.640) 5.170 19.331 ( 0.205 -6.359 -0.457) 6.379 19.474 ( -0.017 1.542 1.515) 2.162 19.720 ( 1.045 -7.446 -8.098) 11.051 19.804 ( -1.519 -0.594 2.057) 2.626 19.888 ( 0.079 -0.304 2.067) 2.091 20.138 ( 5.025 1.953 1.715) 5.658 20.201 ( -4.357 4.684 -4.153) 7.627 20.484 ( -5.092 -1.588 -1.182) 5.463 20.686 ( -4.457 -2.067 2.174) 5.373 21.075 ( 1.336 1.038 0.068) 1.693 21.177 ( -0.771 -1.286 -1.756) 2.309 21.229 ( -3.065 0.700 -1.185) 3.359 21.270 ( -3.913 -0.577 1.770) 4.333 21.721 ( 2.327 -1.537 0.651) 2.863 21.754 ( 1.804 -1.005 0.603) 2.151 21.804 ( 1.309 0.741 -0.344) 1.543 21.902 ( -0.929 -0.998 -1.565) 2.075 21.956 ( 2.742 1.203 0.020) 2.994 22.095 ( 3.274 -2.489 0.720) 4.175 22.281 ( 3.799 0.878 0.269) 3.908 22.504 ( 0.900 -3.847 -1.611) 4.266 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 8.400 0.000) 8.400 1.593 ( 0.000 -10.190 -0.000) 10.190 1.736 ( -0.000 6.461 0.000) 6.461 1.778 ( -0.000 -16.350 -0.000) 16.350 1.883 ( 0.000 -4.493 -0.000) 4.493 2.035 ( 0.000 -9.940 -0.000) 9.940 2.109 ( 0.000 4.749 -0.000) 4.749 2.284 ( -0.000 -2.399 0.000) 2.399 2.356 ( 0.000 -10.121 -0.000) 10.121 2.401 ( -0.000 -7.005 0.000) 7.005 2.473 ( 0.000 5.507 -0.000) 5.507 2.522 ( 0.000 -5.164 -0.000) 5.164 2.710 ( 0.000 8.710 0.000) 8.710 2.858 ( 0.000 11.522 -0.000) 11.522 2.965 ( -0.000 4.305 0.000) 4.305 2.977 ( 0.000 -3.095 0.000) 3.095 3.047 ( 0.000 -0.577 -0.000) 0.577 3.105 ( 0.000 -0.908 -0.000) 0.908 3.191 ( 0.000 -0.281 0.000) 0.281 3.269 ( 0.000 0.642 -0.000) 0.642 3.421 ( 0.000 -8.719 -0.000) 8.719 3.422 ( 0.000 -3.823 0.000) 3.823 3.536 ( -0.000 5.182 -0.000) 5.182 3.542 ( 0.000 -3.256 0.000) 3.256 3.604 ( 0.000 -12.221 -0.000) 12.221 3.624 ( 0.000 1.519 0.000) 1.519 3.768 ( 0.000 2.724 0.000) 2.724 3.898 ( 0.000 0.393 0.000) 0.393 3.942 ( 0.000 2.147 -0.000) 2.147 4.060 ( 0.000 4.456 0.000) 4.456 4.192 ( 0.000 -3.456 -0.000) 3.456 4.319 ( 0.000 -9.393 0.000) 9.393 4.371 ( -0.000 -4.616 0.000) 4.616 4.395 ( 0.000 5.461 -0.000) 5.461 4.399 ( 0.000 4.370 0.000) 4.370 4.503 ( 0.000 -0.301 -0.000) 0.301 4.681 ( 0.000 4.310 0.000) 4.310 4.691 ( 0.000 -1.304 0.000) 1.304 4.710 ( 0.000 1.416 0.000) 1.416 4.783 ( 0.000 -2.618 -0.000) 2.618 4.882 ( 0.000 -3.807 -0.000) 3.807 5.009 ( 0.000 -3.682 -0.000) 3.682 5.016 ( 0.000 -0.528 0.000) 0.528 5.128 ( 0.000 -0.612 -0.000) 0.612 5.237 ( 0.000 5.294 -0.000) 5.294 5.337 ( 0.000 -6.787 -0.000) 6.787 5.455 ( 0.000 7.070 -0.000) 7.070 5.462 ( 0.000 5.270 0.000) 5.270 5.528 ( 0.000 3.533 -0.000) 3.533 5.634 ( 0.000 -3.357 -0.000) 3.357 5.706 ( 0.000 -1.616 0.000) 1.616 5.855 ( 0.000 6.941 0.000) 6.941 5.857 ( 0.000 -0.868 0.000) 0.868 5.901 ( 0.000 -0.842 -0.000) 0.842 5.982 ( 0.000 4.487 -0.000) 4.487 5.995 ( 0.000 6.084 0.000) 6.084 6.144 ( 0.000 -8.200 -0.000) 8.200 6.151 ( 0.000 -4.322 0.000) 4.322 6.187 ( 0.000 -15.322 -0.000) 15.322 6.228 ( 0.000 -4.066 -0.000) 4.066 6.318 ( 0.000 5.110 0.000) 5.110 6.510 ( 0.000 -9.873 0.000) 9.873 6.579 ( 0.000 7.084 0.000) 7.084 6.662 ( 0.000 -14.475 -0.000) 14.475 6.781 ( 0.000 -5.255 -0.000) 5.255 6.875 ( 0.000 -0.856 0.000) 0.856 6.914 ( 0.000 -2.229 0.000) 2.229 7.033 ( 0.000 0.153 -0.000) 0.153 7.099 ( -0.000 -13.540 0.000) 13.540 7.103 ( 0.000 -7.517 -0.000) 7.517 7.254 ( 0.000 -1.212 -0.000) 1.212 7.394 ( 0.000 -1.485 0.000) 1.485 7.451 ( -0.000 -5.693 -0.000) 5.693 7.527 ( 0.000 1.537 -0.000) 1.537 7.549 ( -0.000 4.819 0.000) 4.819 7.671 ( 0.000 2.163 0.000) 2.163 7.768 ( 0.000 -5.258 -0.000) 5.258 7.786 ( 0.000 8.930 -0.000) 8.930 7.878 ( 0.000 5.440 -0.000) 5.440 7.905 ( 0.000 8.879 -0.000) 8.879 7.988 ( 0.000 0.428 0.000) 0.428 8.125 ( 0.000 12.312 -0.000) 12.312 8.139 ( -0.000 -3.037 0.000) 3.037 8.197 ( 0.000 -1.614 -0.000) 1.614 8.251 ( 0.000 4.196 -0.000) 4.196 8.470 ( 0.000 5.406 -0.000) 5.406 8.541 ( 0.000 0.918 -0.000) 0.918 8.683 ( 0.000 3.506 -0.000) 3.506 8.738 ( 0.000 4.592 -0.000) 4.592 8.792 ( 0.000 5.595 -0.000) 5.595 8.950 ( 0.000 -5.717 -0.000) 5.717 9.127 ( 0.000 -5.327 0.000) 5.327 9.220 ( 0.000 4.299 -0.000) 4.299 9.401 ( 0.000 1.107 -0.000) 1.107 9.615 ( 0.000 7.512 -0.000) 7.512 9.739 ( 0.000 -5.320 -0.000) 5.320 9.997 ( 0.000 2.334 -0.000) 2.334 10.200 ( -0.000 4.176 -0.000) 4.176 10.212 ( 0.000 0.911 0.000) 0.911 10.324 ( 0.000 7.337 0.000) 7.337 10.660 ( 0.000 -0.309 0.000) 0.309 10.802 ( 0.000 -11.900 -0.000) 11.900 10.865 ( 0.000 1.007 -0.000) 1.007 11.102 ( 0.000 -0.902 -0.000) 0.902 13.814 ( 0.000 3.894 -0.000) 3.894 13.878 ( 0.000 6.002 -0.000) 6.002 13.955 ( 0.000 -0.935 0.000) 0.935 14.055 ( 0.000 2.184 0.000) 2.184 14.211 ( 0.000 -0.420 0.000) 0.420 14.340 ( 0.000 -2.554 -0.000) 2.554 14.420 ( -0.000 4.378 0.000) 4.378 14.440 ( 0.000 0.983 0.000) 0.983 14.533 ( 0.000 -1.330 -0.000) 1.330 14.667 ( 0.000 -1.295 -0.000) 1.295 14.715 ( 0.000 -0.088 -0.000) 0.088 14.717 ( -0.000 -3.085 0.000) 3.085 14.948 ( 0.000 6.321 -0.000) 6.321 15.199 ( -0.000 -1.785 0.000) 1.785 15.260 ( 0.000 -3.274 0.000) 3.274 15.319 ( -0.000 -3.742 -0.000) 3.742 15.326 ( 0.000 -1.255 0.000) 1.255 15.436 ( 0.000 -2.091 0.000) 2.091 15.483 ( 0.000 3.371 0.000) 3.371 15.493 ( 0.000 -0.011 -0.000) 0.011 15.731 ( 0.000 6.301 0.000) 6.301 15.761 ( -0.000 1.872 -0.000) 1.872 15.784 ( 0.000 1.341 -0.000) 1.341 15.820 ( 0.000 6.119 -0.000) 6.119 16.599 ( 0.000 -2.647 -0.000) 2.647 16.714 ( 0.000 -3.643 -0.000) 3.643 16.812 ( 0.000 7.248 0.000) 7.248 17.039 ( 0.000 5.289 0.000) 5.289 17.231 ( 0.000 0.581 -0.000) 0.581 17.324 ( 0.000 -1.235 -0.000) 1.235 17.341 ( -0.000 -6.410 0.000) 6.410 17.591 ( 0.000 0.602 0.000) 0.602 17.855 ( 0.000 -2.712 -0.000) 2.712 17.889 ( 0.000 -4.433 -0.000) 4.433 18.044 ( 0.000 1.976 -0.000) 1.976 18.068 ( 0.000 1.996 -0.000) 1.996 18.203 ( 0.000 0.027 0.000) 0.027 18.328 ( 0.000 2.431 0.000) 2.431 18.494 ( 0.000 4.201 0.000) 4.201 18.685 ( 0.000 1.876 -0.000) 1.876 18.763 ( 0.000 -0.316 -0.000) 0.316 18.950 ( -0.000 -0.146 0.000) 0.146 18.950 ( 0.000 1.280 -0.000) 1.280 19.332 ( 0.000 -5.635 -0.000) 5.635 19.482 ( 0.000 0.655 -0.000) 0.655 19.711 ( 0.000 -9.331 -0.000) 9.331 19.787 ( 0.000 0.423 0.000) 0.423 19.886 ( 0.000 -0.446 -0.000) 0.446 20.153 ( 0.000 5.035 -0.000) 5.035 20.243 ( 0.000 4.165 0.000) 4.165 20.382 ( -0.000 -2.563 -0.000) 2.563 20.644 ( 0.000 -3.491 -0.000) 3.491 21.097 ( 0.000 -0.690 0.000) 0.690 21.167 ( 0.000 -0.274 -0.000) 0.274 21.190 ( 0.000 -0.708 -0.000) 0.708 21.225 ( -0.000 0.645 0.000) 0.645 21.746 ( 0.000 -1.360 -0.000) 1.360 21.771 ( 0.000 -1.411 -0.000) 1.411 21.839 ( 0.000 0.269 -0.000) 0.269 21.878 ( 0.000 -0.879 0.000) 0.879 21.986 ( 0.000 1.208 -0.000) 1.208 22.133 ( 0.000 -2.666 -0.000) 2.666 22.324 ( 0.000 0.988 -0.000) 0.988 22.507 ( 0.000 -2.137 -0.000) 2.137 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 14.188 0.000) 14.188 0.912 ( 0.000 26.587 0.000) 26.587 1.237 ( 0.000 -12.622 0.000) 12.622 1.684 ( 0.000 3.340 0.000) 3.340 1.722 ( 0.000 17.036 0.000) 17.036 1.777 ( 0.000 -2.415 0.000) 2.415 1.930 ( 0.000 8.104 0.000) 8.104 2.245 ( 0.000 -14.435 0.000) 14.435 2.468 ( 0.000 10.010 0.000) 10.010 2.496 ( 0.000 -2.241 0.000) 2.241 2.664 ( 0.000 4.067 0.000) 4.067 2.671 ( 0.000 -9.099 0.000) 9.099 2.716 ( 0.000 8.514 0.000) 8.514 2.891 ( 0.000 -3.648 0.000) 3.648 2.918 ( 0.000 9.642 0.000) 9.642 3.074 ( 0.000 8.348 0.000) 8.348 3.129 ( 0.000 3.549 0.000) 3.549 3.177 ( 0.000 0.172 0.000) 0.172 3.286 ( 0.000 -1.212 0.000) 1.212 3.367 ( 0.000 -7.702 0.000) 7.702 3.425 ( 0.000 -3.793 0.000) 3.793 3.570 ( 0.000 -13.158 0.000) 13.158 3.590 ( 0.000 3.173 0.000) 3.173 3.665 ( 0.000 2.546 0.000) 2.546 3.704 ( 0.000 -1.457 0.000) 1.457 3.816 ( 0.000 2.219 0.000) 2.219 3.856 ( 0.000 -7.748 0.000) 7.748 3.922 ( 0.000 0.246 0.000) 0.246 3.951 ( 0.000 -8.209 0.000) 8.209 3.967 ( 0.000 0.240 0.000) 0.240 4.099 ( 0.000 5.662 0.000) 5.662 4.161 ( 0.000 -1.757 0.000) 1.757 4.225 ( 0.000 -5.497 0.000) 5.497 4.342 ( 0.000 7.443 0.000) 7.443 4.366 ( 0.000 2.093 0.000) 2.093 4.457 ( 0.000 -4.226 0.000) 4.226 4.525 ( 0.000 4.454 0.000) 4.454 4.633 ( 0.000 2.743 0.000) 2.743 4.690 ( 0.000 -5.021 0.000) 5.021 4.704 ( 0.000 -0.703 0.000) 0.703 4.801 ( 0.000 -3.811 0.000) 3.811 4.946 ( 0.000 -7.191 0.000) 7.191 5.026 ( 0.000 -11.139 0.000) 11.139 5.049 ( 0.000 -17.550 0.000) 17.550 5.107 ( 0.000 5.468 0.000) 5.468 5.332 ( 0.000 -10.005 0.000) 10.005 5.350 ( 0.000 -1.558 0.000) 1.558 5.432 ( 0.000 -7.413 0.000) 7.413 5.433 ( 0.000 -7.232 0.000) 7.232 5.535 ( 0.000 -11.227 0.000) 11.227 5.581 ( 0.000 4.602 0.000) 4.602 5.780 ( 0.000 -4.583 0.000) 4.583 5.810 ( 0.000 2.287 0.000) 2.287 5.885 ( 0.000 2.236 0.000) 2.236 5.889 ( 0.000 -2.582 0.000) 2.582 6.046 ( 0.000 -6.383 0.000) 6.383 6.144 ( 0.000 -5.149 0.000) 5.149 6.164 ( 0.000 1.872 0.000) 1.872 6.254 ( 0.000 5.296 0.000) 5.296 6.421 ( 0.000 12.214 0.000) 12.214 6.476 ( 0.000 0.148 0.000) 0.148 6.585 ( 0.000 2.966 0.000) 2.966 6.713 ( 0.000 6.749 0.000) 6.749 6.820 ( 0.000 7.663 0.000) 7.663 6.827 ( 0.000 -1.319 0.000) 1.319 6.835 ( 0.000 -4.616 0.000) 4.616 6.909 ( 0.000 1.821 0.000) 1.821 7.102 ( 0.000 -7.233 0.000) 7.233 7.136 ( 0.000 -6.380 0.000) 6.380 7.195 ( 0.000 2.324 0.000) 2.324 7.304 ( 0.000 -7.012 0.000) 7.012 7.305 ( 0.000 -4.541 0.000) 4.541 7.365 ( 0.000 0.833 0.000) 0.833 7.452 ( 0.000 0.580 0.000) 0.580 7.489 ( 0.000 7.405 0.000) 7.405 7.547 ( 0.000 9.004 0.000) 9.004 7.737 ( 0.000 1.809 0.000) 1.809 7.911 ( 0.000 3.791 0.000) 3.791 7.997 ( 0.000 -0.417 0.000) 0.417 8.002 ( 0.000 3.205 0.000) 3.205 8.044 ( 0.000 3.529 0.000) 3.529 8.187 ( 0.000 -0.634 0.000) 0.634 8.269 ( 0.000 6.137 0.000) 6.137 8.406 ( 0.000 -11.871 0.000) 11.871 8.496 ( 0.000 5.774 0.000) 5.774 8.520 ( 0.000 6.140 0.000) 6.140 8.541 ( 0.000 4.195 0.000) 4.195 8.582 ( 0.000 4.826 0.000) 4.826 8.583 ( 0.000 0.120 0.000) 0.120 8.695 ( 0.000 -1.004 0.000) 1.004 8.982 ( 0.000 -0.135 0.000) 0.135 9.062 ( 0.000 2.070 0.000) 2.070 9.119 ( 0.000 0.256 0.000) 0.256 9.287 ( 0.000 -12.541 0.000) 12.541 9.398 ( 0.000 8.673 0.000) 8.673 9.533 ( 0.000 2.881 0.000) 2.881 9.866 ( 0.000 -6.920 0.000) 6.920 9.881 ( 0.000 -6.188 0.000) 6.188 10.078 ( 0.000 8.827 0.000) 8.827 10.206 ( 0.000 -0.640 0.000) 0.640 10.787 ( 0.000 5.565 0.000) 5.565 10.797 ( 0.000 1.652 0.000) 1.652 10.936 ( 0.000 2.223 0.000) 2.223 11.085 ( 0.000 -3.173 0.000) 3.173 13.967 ( 0.000 4.736 0.000) 4.736 14.012 ( 0.000 5.855 0.000) 5.855 14.161 ( 0.000 -0.715 0.000) 0.715 14.162 ( 0.000 -3.701 0.000) 3.701 14.224 ( 0.000 0.779 0.000) 0.779 14.246 ( 0.000 -0.520 0.000) 0.520 14.393 ( 0.000 -1.072 0.000) 1.072 14.467 ( 0.000 -3.131 0.000) 3.131 14.555 ( 0.000 0.368 0.000) 0.368 14.576 ( 0.000 -0.182 0.000) 0.182 14.770 ( 0.000 4.595 0.000) 4.595 14.788 ( 0.000 0.250 0.000) 0.250 14.972 ( 0.000 -0.389 0.000) 0.389 15.060 ( 0.000 -1.284 0.000) 1.284 15.188 ( 0.000 1.805 0.000) 1.805 15.271 ( 0.000 -0.954 0.000) 0.954 15.299 ( 0.000 1.741 0.000) 1.741 15.432 ( 0.000 -2.767 0.000) 2.767 15.505 ( 0.000 0.315 0.000) 0.315 15.614 ( 0.000 -2.919 0.000) 2.919 15.816 ( 0.000 2.696 0.000) 2.696 15.841 ( 0.000 2.008 0.000) 2.008 16.120 ( 0.000 -0.394 0.000) 0.394 16.208 ( 0.000 -2.902 0.000) 2.902 16.284 ( 0.000 0.629 0.000) 0.629 16.360 ( 0.000 -2.283 0.000) 2.283 16.626 ( 0.000 8.200 0.000) 8.200 16.937 ( 0.000 -7.254 0.000) 7.254 17.335 ( 0.000 4.762 0.000) 4.762 17.458 ( 0.000 -0.700 0.000) 0.700 17.605 ( 0.000 4.251 0.000) 4.251 17.784 ( 0.000 -2.923 0.000) 2.923 17.807 ( 0.000 -1.682 0.000) 1.682 17.830 ( 0.000 -2.613 0.000) 2.613 18.034 ( 0.000 -0.622 0.000) 0.622 18.042 ( 0.000 0.523 0.000) 0.523 18.279 ( 0.000 1.529 0.000) 1.529 18.382 ( 0.000 -3.113 0.000) 3.113 18.470 ( 0.000 8.033 0.000) 8.033 18.682 ( 0.000 -2.026 0.000) 2.026 18.724 ( 0.000 0.231 0.000) 0.231 18.754 ( 0.000 -2.028 0.000) 2.028 19.178 ( 0.000 1.927 0.000) 1.927 19.249 ( 0.000 -1.441 0.000) 1.441 19.545 ( 0.000 4.733 0.000) 4.733 19.633 ( 0.000 0.564 0.000) 0.564 19.819 ( 0.000 -1.027 0.000) 1.027 19.865 ( 0.000 -0.771 0.000) 0.771 20.164 ( 0.000 -0.836 0.000) 0.836 20.194 ( 0.000 -6.002 0.000) 6.002 20.695 ( 0.000 2.612 0.000) 2.612 20.815 ( 0.000 -3.773 0.000) 3.773 21.142 ( 0.000 -1.078 0.000) 1.078 21.160 ( 0.000 -2.151 0.000) 2.151 21.452 ( 0.000 2.041 0.000) 2.041 21.497 ( 0.000 -0.909 0.000) 0.909 21.676 ( 0.000 1.989 0.000) 1.989 21.718 ( 0.000 0.034 0.000) 0.034 21.763 ( 0.000 1.769 0.000) 1.769 21.825 ( 0.000 -0.277 0.000) 0.277 21.920 ( 0.000 -0.623 0.000) 0.623 21.934 ( 0.000 -1.912 0.000) 1.912 22.135 ( 0.000 -0.643 0.000) 0.643 22.140 ( 0.000 -0.840 0.000) 0.840 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 10.934 8.984 -1.062) 14.191 1.099 ( 14.940 19.912 14.063) 28.591 1.294 ( 5.012 -14.554 -1.600) 15.476 1.680 ( 3.151 -4.978 1.657) 6.120 1.778 ( 5.684 24.160 -3.501) 25.065 1.908 ( 4.772 -6.063 2.156) 8.011 1.945 ( 2.379 4.180 -0.824) 4.879 2.187 ( -3.345 -8.115 -3.141) 9.322 2.401 ( -2.902 -0.710 -0.250) 2.998 2.519 ( -3.527 2.700 2.695) 5.196 2.578 ( -6.038 4.546 1.952) 7.806 2.685 ( 1.135 -8.323 0.141) 8.402 2.804 ( 4.920 5.637 -4.677) 8.824 2.824 ( -0.939 0.109 3.492) 3.618 2.917 ( -0.141 3.099 -0.568) 3.153 2.993 ( -4.762 -0.120 -7.335) 8.746 3.052 ( -5.113 4.476 -0.914) 6.857 3.183 ( 1.862 7.798 1.002) 8.079 3.239 ( -5.558 -4.554 5.782) 9.223 3.354 ( -0.545 -0.389 4.805) 4.852 3.456 ( -4.355 3.561 -3.530) 6.641 3.493 ( -2.838 -1.439 1.561) 3.544 3.593 ( -4.601 -3.324 -5.539) 7.931 3.639 ( 3.407 -8.405 -2.593) 9.433 3.727 ( 1.513 -3.369 0.549) 3.734 3.791 ( -4.154 0.505 5.479) 6.894 3.860 ( -0.394 -9.175 0.291) 9.188 3.904 ( -2.110 -0.400 1.209) 2.465 3.944 ( 2.836 -2.394 -4.575) 5.891 3.997 ( -4.208 -0.873 0.722) 4.358 4.047 ( -0.726 4.300 5.298) 6.862 4.201 ( 3.443 -0.822 -2.658) 4.427 4.234 ( 1.176 3.280 -6.487) 7.364 4.326 ( -1.652 -0.206 5.793) 6.028 4.354 ( 4.575 2.917 -1.953) 5.767 4.493 ( -1.264 -4.379 4.718) 6.560 4.550 ( 3.449 2.179 2.452) 4.759 4.572 ( -0.490 1.695 1.791) 2.515 4.758 ( 2.417 -5.271 -1.837) 6.083 4.803 ( 2.320 -0.697 0.818) 2.557 4.860 ( 4.144 -1.209 -0.163) 4.320 4.918 ( -3.964 -0.615 0.537) 4.047 5.031 ( 2.589 -6.946 -5.817) 9.423 5.069 ( 9.803 -4.988 -2.269) 11.230 5.201 ( 2.250 -4.693 1.982) 5.569 5.282 ( -4.316 -6.005 -3.440) 8.156 5.362 ( 3.931 -8.942 -6.797) 11.900 5.402 ( 4.251 -3.262 1.337) 5.523 5.450 ( -0.312 -1.319 2.132) 2.526 5.488 ( 0.419 -10.103 3.701) 10.767 5.708 ( -4.165 -4.008 -3.426) 6.719 5.770 ( 4.827 -1.324 5.074) 7.128 5.814 ( -0.695 1.996 -5.326) 5.730 5.888 ( -4.398 1.912 0.397) 4.812 5.918 ( 4.851 -2.491 5.249) 7.569 5.990 ( 0.111 -3.538 -2.705) 4.455 6.090 ( -7.008 -3.009 -1.252) 7.728 6.171 ( 3.008 -1.801 2.606) 4.369 6.267 ( -1.050 8.674 1.692) 8.900 6.361 ( -8.424 5.578 2.394) 10.383 6.501 ( -1.842 2.781 -4.072) 5.264 6.533 ( -3.699 -1.792 2.229) 4.676 6.578 ( 4.027 -1.510 2.831) 5.149 6.693 ( -8.938 0.047 1.634) 9.086 6.789 ( -4.426 0.920 -10.032) 11.003 6.920 ( 0.055 0.986 -4.287) 4.399 6.933 ( -0.676 -1.348 -2.672) 3.068 7.066 ( -3.799 -3.111 -3.168) 5.843 7.091 ( -4.112 -2.736 2.541) 5.555 7.228 ( 1.580 2.677 2.834) 4.206 7.250 ( 0.582 0.874 -2.763) 2.956 7.256 ( -5.541 -4.391 1.795) 7.295 7.338 ( -0.447 -0.515 -5.798) 5.838 7.418 ( 3.958 -7.253 1.824) 8.462 7.476 ( -5.464 3.621 -1.556) 6.737 7.656 ( 6.608 8.770 3.203) 11.439 7.681 ( -0.718 3.094 -3.698) 4.875 7.889 ( -0.865 -0.840 10.060) 10.132 7.943 ( -1.206 1.279 -1.178) 2.116 8.055 ( -2.739 2.478 2.037) 4.218 8.135 ( 5.688 7.317 3.524) 9.916 8.220 ( 0.406 -1.133 -4.993) 5.136 8.297 ( -6.491 4.583 7.765) 11.110 8.338 ( -0.647 1.450 1.781) 2.386 8.440 ( 0.834 -0.963 3.704) 3.917 8.516 ( -0.582 4.130 3.019) 5.149 8.533 ( -1.138 0.156 1.058) 1.562 8.607 ( 2.004 1.095 0.133) 2.287 8.661 ( 7.099 4.030 -2.008) 8.407 8.728 ( 2.569 0.722 -1.454) 3.039 8.931 ( -4.003 1.727 -1.739) 4.694 9.133 ( 2.708 -1.628 -2.167) 3.832 9.265 ( 11.971 1.001 -2.260) 12.223 9.310 ( 2.316 -3.817 -2.226) 4.989 9.434 ( 4.813 5.796 -0.872) 7.584 9.549 ( 1.108 0.152 0.278) 1.152 9.890 ( 1.711 -4.577 -4.397) 6.574 9.944 ( 3.817 -3.674 0.669) 5.340 10.183 ( 9.634 1.962 -3.652) 10.488 10.285 ( 7.028 -2.965 1.027) 7.697 10.733 ( -4.438 3.706 5.489) 7.972 10.782 ( -2.828 0.919 2.010) 3.589 10.902 ( -1.976 4.658 -2.052) 5.460 11.093 ( 0.489 -3.749 -3.359) 5.057 13.952 ( -1.178 4.667 -0.248) 4.820 14.009 ( -0.954 4.243 1.717) 4.675 14.070 ( -5.840 0.124 -0.858) 5.904 14.155 ( -1.736 1.902 -1.441) 2.950 14.214 ( 1.350 -2.254 3.509) 4.383 14.238 ( -1.111 -1.026 3.335) 3.662 14.448 ( 2.955 -0.584 -3.059) 4.294 14.464 ( -0.012 -0.911 -3.081) 3.213 14.548 ( -1.036 0.639 -1.377) 1.838 14.604 ( 2.273 -1.382 2.628) 3.739 14.721 ( -2.878 2.294 0.436) 3.706 14.802 ( -0.956 -0.906 -1.086) 1.707 14.962 ( 0.477 1.566 2.673) 3.134 15.070 ( 1.049 -1.438 -1.441) 2.290 15.215 ( 1.367 0.460 1.614) 2.164 15.258 ( 0.406 -1.128 0.976) 1.545 15.351 ( 3.357 1.835 1.253) 4.026 15.448 ( -2.579 1.610 -2.869) 4.181 15.476 ( 1.582 -1.095 -1.540) 2.464 15.550 ( -4.478 -2.044 -5.397) 7.305 15.765 ( -1.748 2.778 0.410) 3.308 15.876 ( -1.182 -2.558 4.595) 5.391 16.013 ( -5.014 4.198 -1.261) 6.660 16.183 ( -8.228 -1.943 0.681) 8.482 16.316 ( 6.215 1.900 3.567) 7.414 16.466 ( 9.507 -3.386 4.650) 11.111 16.735 ( 7.329 5.281 -3.722) 9.770 16.954 ( 1.832 -4.026 -0.647) 4.470 17.221 ( -6.971 7.316 7.219) 12.419 17.424 ( -3.087 -0.658 -1.223) 3.385 17.609 ( -3.763 1.155 3.879) 5.527 17.725 ( -5.083 -2.198 -0.576) 5.568 17.791 ( -0.251 -1.287 0.622) 1.451 17.816 ( -0.107 -3.140 0.681) 3.215 18.049 ( 1.349 0.050 -1.349) 1.908 18.071 ( 1.658 0.476 -1.911) 2.574 18.260 ( -1.238 1.881 0.775) 2.381 18.354 ( -1.268 -1.817 -0.962) 2.415 18.512 ( 3.663 8.495 -2.132) 9.494 18.720 ( 0.826 0.236 0.221) 0.887 18.732 ( 0.510 0.121 0.656) 0.840 18.802 ( 5.125 -5.570 -1.294) 7.679 19.131 ( -4.214 2.027 0.552) 4.709 19.225 ( -1.662 -3.309 -2.226) 4.321 19.534 ( -1.114 3.502 0.156) 3.678 19.639 ( 0.141 -1.101 -2.446) 2.686 19.821 ( -0.288 -0.195 2.335) 2.361 19.866 ( 0.268 -0.919 1.293) 1.609 20.118 ( -1.153 0.607 1.519) 2.002 20.225 ( 0.980 -5.627 -3.204) 6.549 20.617 ( -5.908 3.322 -0.225) 6.782 20.761 ( -5.351 -4.029 0.430) 6.712 21.120 ( -0.572 1.459 2.641) 3.071 21.209 ( 0.720 -2.831 1.591) 3.326 21.293 ( -7.683 3.519 -3.912) 9.312 21.382 ( -7.196 -0.525 -2.919) 7.783 21.670 ( 0.403 1.190 -0.444) 1.332 21.719 ( 0.349 -0.655 -0.455) 0.871 21.798 ( 1.379 1.283 -0.210) 1.896 21.890 ( -0.573 -2.398 0.152) 2.470 21.910 ( 3.312 1.358 0.619) 3.633 21.963 ( 3.995 -1.902 0.988) 4.534 22.197 ( 5.713 1.265 0.177) 5.854 22.303 ( 8.600 -4.862 -0.597) 9.897 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 15.268 -3.897 0.507) 15.766 1.362 ( 4.786 -11.695 7.558) 14.724 1.547 ( 17.511 5.685 11.470) 21.692 1.779 ( 4.179 11.591 -7.409) 14.378 1.877 ( -4.967 0.416 -0.003) 4.984 1.905 ( 3.987 -2.227 -6.250) 7.741 1.965 ( 3.989 -4.504 -1.624) 6.232 2.206 ( 0.711 -5.632 -0.890) 5.746 2.352 ( -6.228 2.328 4.550) 8.057 2.445 ( -1.702 -1.014 0.141) 1.986 2.460 ( 0.800 -2.644 0.834) 2.886 2.617 ( -9.669 2.021 0.835) 9.913 2.791 ( 0.110 -6.237 -2.730) 6.809 2.837 ( -0.545 -4.015 3.707) 5.492 2.934 ( -2.494 -1.792 0.186) 3.077 2.999 ( 0.738 0.157 2.457) 2.570 3.013 ( 4.570 4.769 -3.338) 7.401 3.125 ( -1.886 0.583 0.401) 2.014 3.241 ( 2.339 4.925 -4.381) 6.994 3.324 ( -2.194 1.557 -0.414) 2.722 3.372 ( -1.804 5.673 1.949) 6.264 3.400 ( -8.679 -4.216 0.954) 9.696 3.467 ( -2.534 -0.323 -3.047) 3.976 3.614 ( -2.635 2.524 0.293) 3.660 3.671 ( -6.549 -4.874 -1.025) 8.227 3.764 ( 1.042 -3.602 2.418) 4.462 3.829 ( -5.024 1.594 -0.903) 5.348 3.888 ( 3.179 1.458 -4.165) 5.438 3.951 ( 0.009 1.334 -4.215) 4.421 4.034 ( 4.552 -2.794 4.122) 6.746 4.097 ( 4.171 2.175 5.092) 6.932 4.207 ( -2.493 -1.319 0.107) 2.823 4.280 ( 2.941 -5.226 -1.504) 6.182 4.319 ( 1.904 4.648 -0.128) 5.025 4.425 ( -1.243 -6.938 4.741) 8.494 4.501 ( -1.197 -6.819 0.980) 6.992 4.549 ( 4.788 -2.197 2.801) 5.967 4.680 ( -1.102 2.724 4.065) 5.016 4.734 ( 0.917 1.848 -3.283) 3.877 4.824 ( -5.016 -3.694 -0.029) 6.229 4.859 ( 5.373 3.482 -2.396) 6.836 4.933 ( 3.163 5.910 3.284) 7.464 5.082 ( 1.120 -0.463 -4.491) 4.651 5.240 ( -0.698 -0.863 -1.193) 1.630 5.264 ( 3.602 -1.902 -2.190) 4.625 5.303 ( 8.561 -4.217 -3.384) 10.125 5.371 ( -3.243 3.575 -1.689) 5.114 5.473 ( 4.754 -4.324 -1.379) 6.572 5.547 ( 6.098 -5.555 2.394) 8.589 5.564 ( 3.362 -8.099 3.369) 9.394 5.643 ( 4.145 -7.022 5.535) 9.855 5.679 ( -5.540 4.409 -6.003) 9.283 5.816 ( -0.879 -0.957 -4.415) 4.603 5.902 ( -2.849 -1.067 0.356) 3.063 5.920 ( -0.913 -8.715 3.426) 9.408 5.983 ( 2.824 0.200 1.352) 3.137 6.075 ( -3.945 -2.412 7.202) 8.559 6.126 ( 1.094 -5.406 0.244) 5.520 6.254 ( -0.657 10.723 -4.877) 11.798 6.283 ( -11.641 -2.066 2.217) 12.029 6.357 ( 2.109 0.489 1.805) 2.818 6.468 ( -6.499 -2.389 -5.228) 8.676 6.573 ( 1.978 2.160 -2.536) 3.874 6.601 ( -7.783 -1.971 -12.122) 14.540 6.747 ( 5.622 -2.376 0.741) 6.148 6.815 ( -5.794 -0.290 -1.917) 6.110 6.889 ( -4.286 -4.051 0.180) 5.900 6.948 ( -2.865 -3.253 0.891) 4.425 7.076 ( -4.431 -1.002 3.970) 6.033 7.121 ( -3.533 -6.012 1.245) 7.084 7.219 ( -4.132 6.785 -0.649) 7.971 7.272 ( 2.555 -0.913 7.119) 7.619 7.389 ( 4.474 1.394 -5.682) 7.365 7.421 ( 3.042 -4.029 -3.195) 5.975 7.569 ( 8.502 -5.530 -3.881) 10.860 7.669 ( -0.831 2.463 -4.725) 5.393 7.779 ( 3.179 -0.028 -0.653) 3.245 7.838 ( -5.198 -1.278 -2.323) 5.835 7.876 ( -3.552 2.839 13.305) 14.061 8.049 ( -0.614 -1.029 6.457) 6.567 8.151 ( -1.720 8.271 -2.501) 8.810 8.175 ( -3.560 6.412 2.788) 7.846 8.206 ( -3.964 1.035 2.662) 4.885 8.318 ( 0.132 3.610 5.229) 6.355 8.420 ( -0.979 4.877 -2.132) 5.412 8.554 ( 0.669 1.631 3.975) 4.349 8.561 ( 3.355 7.185 -1.086) 8.004 8.683 ( 4.862 -0.670 1.317) 5.082 8.789 ( 2.650 1.787 -1.486) 3.525 8.801 ( 5.467 -0.106 -1.551) 5.684 8.848 ( -2.759 1.380 -1.369) 3.375 9.088 ( -4.717 -6.324 -4.283) 8.977 9.339 ( 0.338 6.724 -0.203) 6.736 9.439 ( 3.270 4.038 1.353) 5.369 9.591 ( 3.422 -4.324 0.602) 5.547 9.617 ( 7.611 1.439 0.361) 7.754 9.963 ( 6.789 0.220 -7.902) 10.420 10.044 ( 7.072 1.272 1.426) 7.325 10.351 ( 4.334 2.024 1.747) 5.092 10.427 ( 4.323 -4.584 -7.666) 9.923 10.635 ( -4.836 0.580 5.122) 7.068 10.699 ( -4.500 -0.963 5.643) 7.281 10.879 ( 0.286 4.849 -0.876) 4.936 11.078 ( -1.339 -4.290 -4.140) 6.110 13.917 ( -2.328 3.138 0.182) 3.912 13.953 ( -2.321 0.328 1.067) 2.575 14.011 ( -0.688 5.859 0.252) 5.904 14.124 ( -1.374 2.815 0.665) 3.202 14.213 ( -1.380 -1.178 0.586) 1.907 14.251 ( 1.322 -4.381 1.934) 4.968 14.456 ( 0.401 1.226 -3.269) 3.515 14.499 ( 2.056 1.415 -2.350) 3.428 14.520 ( -1.074 0.967 -0.750) 1.628 14.655 ( 1.837 -1.465 1.242) 2.657 14.671 ( -2.189 0.155 1.665) 2.754 14.738 ( -3.298 -1.378 -0.243) 3.583 15.017 ( 3.003 3.677 2.028) 5.162 15.111 ( 3.210 -1.927 0.990) 3.872 15.236 ( 0.720 -1.461 0.404) 1.678 15.254 ( -2.534 -2.438 1.902) 3.998 15.374 ( -1.167 0.855 -3.954) 4.210 15.392 ( -3.183 -0.597 -3.738) 4.946 15.478 ( 2.177 0.924 -2.321) 3.313 15.524 ( 1.095 0.932 -0.014) 1.438 15.748 ( 0.249 2.017 1.140) 2.331 15.837 ( -1.541 -0.921 2.673) 3.220 15.933 ( -3.675 4.882 1.039) 6.198 16.001 ( -7.303 3.078 -0.504) 7.941 16.489 ( 7.666 0.970 3.416) 8.449 16.638 ( 4.661 -3.814 2.483) 6.514 16.865 ( 5.979 4.970 -4.032) 8.758 17.003 ( 1.840 1.469 5.905) 6.358 17.177 ( 2.344 -0.731 -1.041) 2.667 17.338 ( -4.289 -1.913 -1.269) 4.865 17.443 ( -9.644 3.562 4.954) 11.412 17.639 ( -4.320 -2.866 -0.438) 5.202 17.799 ( 0.541 -1.954 0.100) 2.030 17.814 ( 0.166 -2.935 0.143) 2.943 18.066 ( 0.523 0.585 -1.656) 1.832 18.088 ( 0.297 0.372 -1.202) 1.293 18.241 ( -0.733 2.449 0.366) 2.582 18.342 ( 0.078 -1.264 -1.184) 1.734 18.590 ( 3.511 9.336 -1.578) 10.098 18.723 ( -0.076 1.357 -0.203) 1.374 18.748 ( 0.736 -0.201 0.444) 0.882 18.899 ( 3.390 -3.885 -0.012) 5.156 19.034 ( -4.335 2.180 1.566) 5.099 19.188 ( -1.287 -7.387 -2.052) 7.774 19.508 ( -1.021 2.124 0.906) 2.525 19.615 ( -1.731 -3.794 -2.518) 4.871 19.810 ( -0.780 0.909 0.807) 1.444 19.872 ( -0.337 -1.484 2.016) 2.526 20.153 ( 3.419 1.088 1.983) 4.099 20.238 ( 1.839 -1.347 -3.751) 4.389 20.487 ( -6.369 2.146 0.035) 6.721 20.625 ( -6.058 -4.070 0.190) 7.301 21.107 ( -1.300 2.146 1.339) 2.844 21.161 ( -1.617 -0.500 -1.182) 2.065 21.235 ( -2.307 -0.046 -1.488) 2.746 21.252 ( -3.085 -1.166 0.508) 3.337 21.700 ( 1.778 -0.469 0.587) 1.931 21.731 ( 0.769 -1.408 0.374) 1.647 21.818 ( 1.130 0.883 -0.449) 1.503 21.875 ( -0.704 -1.749 -1.051) 2.158 21.983 ( 2.820 1.559 0.066) 3.223 22.048 ( 3.150 -2.202 0.246) 3.851 22.307 ( 4.007 1.901 0.185) 4.439 22.425 ( 3.224 -4.126 -0.531) 5.263 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 -14.296 -0.000) 14.296 1.392 ( 0.000 -18.098 -0.000) 18.098 1.690 ( -0.000 14.434 -0.000) 14.434 1.788 ( 0.000 -5.212 -0.000) 5.212 1.921 ( -0.000 10.542 0.000) 10.542 1.966 ( 0.000 0.088 -0.000) 0.088 2.064 ( 0.000 -9.925 -0.000) 9.925 2.172 ( 0.000 -4.815 -0.000) 4.815 2.231 ( 0.000 6.346 -0.000) 6.346 2.376 ( 0.000 2.399 -0.000) 2.399 2.482 ( 0.000 -2.401 -0.000) 2.401 2.543 ( 0.000 -0.730 -0.000) 0.730 2.796 ( 0.000 -9.969 -0.000) 9.969 2.819 ( 0.000 -7.066 -0.000) 7.066 2.930 ( 0.000 4.367 0.000) 4.367 2.962 ( 0.000 -6.516 0.000) 6.516 3.062 ( 0.000 1.653 0.000) 1.653 3.180 ( -0.000 -6.270 -0.000) 6.270 3.210 ( -0.000 1.526 -0.000) 1.526 3.216 ( 0.000 4.610 0.000) 4.610 3.379 ( -0.000 0.681 0.000) 0.681 3.382 ( 0.000 4.325 -0.000) 4.325 3.443 ( 0.000 2.414 -0.000) 2.414 3.563 ( 0.000 -5.301 0.000) 5.301 3.611 ( -0.000 7.894 -0.000) 7.894 3.712 ( 0.000 7.463 0.000) 7.463 3.798 ( 0.000 0.549 -0.000) 0.549 3.936 ( 0.000 -4.668 -0.000) 4.668 3.951 ( 0.000 2.909 0.000) 2.909 4.111 ( 0.000 2.820 -0.000) 2.820 4.155 ( -0.000 1.552 0.000) 1.552 4.156 ( 0.000 -7.188 -0.000) 7.188 4.281 ( 0.000 -0.198 0.000) 0.198 4.390 ( 0.000 -5.828 0.000) 5.828 4.417 ( 0.000 -0.353 -0.000) 0.353 4.474 ( 0.000 -6.376 0.000) 6.376 4.619 ( 0.000 -6.813 -0.000) 6.813 4.649 ( 0.000 -1.668 0.000) 1.668 4.738 ( 0.000 -3.900 0.000) 3.900 4.749 ( 0.000 -1.162 0.000) 1.162 4.919 ( 0.000 5.383 -0.000) 5.383 5.022 ( 0.000 7.266 -0.000) 7.266 5.128 ( 0.000 4.833 0.000) 4.833 5.142 ( -0.000 10.355 -0.000) 10.355 5.270 ( 0.000 0.395 -0.000) 0.395 5.306 ( 0.000 0.764 0.000) 0.764 5.499 ( -0.000 -10.565 0.000) 10.565 5.523 ( 0.000 0.609 -0.000) 0.609 5.570 ( 0.000 4.249 -0.000) 4.249 5.593 ( -0.000 1.059 0.000) 1.059 5.686 ( 0.000 -0.301 0.000) 0.301 5.736 ( 0.000 -10.165 0.000) 10.165 5.843 ( -0.000 -9.275 -0.000) 9.275 5.855 ( 0.000 -8.949 0.000) 8.949 5.886 ( 0.000 -7.664 -0.000) 7.664 5.958 ( 0.000 -1.273 -0.000) 1.273 6.058 ( 0.000 -5.461 0.000) 5.461 6.084 ( 0.000 -1.430 -0.000) 1.430 6.209 ( 0.000 0.816 0.000) 0.816 6.220 ( 0.000 12.800 -0.000) 12.800 6.390 ( 0.000 -5.582 -0.000) 5.582 6.396 ( -0.000 1.820 0.000) 1.820 6.445 ( 0.000 3.164 0.000) 3.164 6.674 ( 0.000 -0.942 0.000) 0.942 6.698 ( -0.000 -1.798 -0.000) 1.798 6.805 ( 0.000 -6.138 0.000) 6.138 6.897 ( 0.000 -0.898 0.000) 0.898 6.908 ( -0.000 -7.754 -0.000) 7.754 6.944 ( 0.000 -0.668 0.000) 0.668 7.071 ( 0.000 -1.222 -0.000) 1.222 7.224 ( 0.000 1.337 0.000) 1.337 7.360 ( 0.000 -3.306 0.000) 3.306 7.369 ( -0.000 -1.920 -0.000) 1.920 7.536 ( -0.000 1.802 -0.000) 1.802 7.631 ( 0.000 -10.159 0.000) 10.159 7.645 ( 0.000 -0.054 -0.000) 0.054 7.696 ( 0.000 3.623 -0.000) 3.623 7.848 ( 0.000 -3.311 0.000) 3.311 7.931 ( 0.000 0.290 -0.000) 0.290 7.976 ( -0.000 -3.028 0.000) 3.028 8.084 ( 0.000 7.931 0.000) 7.931 8.123 ( 0.000 8.641 -0.000) 8.641 8.228 ( 0.000 4.856 -0.000) 4.856 8.305 ( 0.000 6.013 0.000) 6.013 8.422 ( 0.000 7.654 -0.000) 7.654 8.562 ( 0.000 0.958 -0.000) 0.958 8.613 ( 0.000 8.926 -0.000) 8.926 8.756 ( -0.000 2.128 0.000) 2.128 8.769 ( 0.000 -0.746 0.000) 0.746 8.835 ( 0.000 -4.324 -0.000) 4.324 8.890 ( 0.000 3.360 -0.000) 3.360 9.002 ( -0.000 -7.459 -0.000) 7.459 9.338 ( 0.000 7.619 0.000) 7.619 9.464 ( 0.000 5.463 -0.000) 5.463 9.629 ( 0.000 -5.932 -0.000) 5.932 9.690 ( 0.000 -0.531 -0.000) 0.531 10.061 ( 0.000 4.449 -0.000) 4.449 10.211 ( 0.000 -1.419 -0.000) 1.419 10.303 ( 0.000 5.976 0.000) 5.976 10.461 ( 0.000 4.728 -0.000) 4.728 10.596 ( -0.000 -7.231 0.000) 7.231 10.651 ( 0.000 -0.834 -0.000) 0.834 10.895 ( 0.000 2.388 -0.000) 2.388 11.047 ( 0.000 -4.266 -0.000) 4.266 13.886 ( 0.000 2.723 -0.000) 2.723 13.936 ( 0.000 -0.999 -0.000) 0.999 14.005 ( 0.000 7.466 -0.000) 7.466 14.106 ( 0.000 2.946 0.000) 2.946 14.197 ( 0.000 -1.246 -0.000) 1.246 14.267 ( 0.000 -5.053 -0.000) 5.053 14.463 ( 0.000 1.311 0.000) 1.311 14.506 ( 0.000 -0.746 -0.000) 0.746 14.523 ( -0.000 4.995 0.000) 4.995 14.637 ( 0.000 -1.749 0.000) 1.749 14.676 ( 0.000 -1.019 -0.000) 1.019 14.707 ( 0.000 -0.874 0.000) 0.874 15.061 ( 0.000 5.134 -0.000) 5.134 15.166 ( -0.000 -1.594 -0.000) 1.594 15.209 ( 0.000 -1.731 0.000) 1.731 15.245 ( -0.000 -3.362 -0.000) 3.362 15.312 ( 0.000 -0.194 0.000) 0.194 15.376 ( 0.000 -3.388 -0.000) 3.388 15.521 ( -0.000 1.793 0.000) 1.793 15.526 ( 0.000 1.447 -0.000) 1.447 15.791 ( -0.000 1.223 -0.000) 1.223 15.804 ( 0.000 0.963 0.000) 0.963 15.870 ( 0.000 6.444 -0.000) 6.444 15.926 ( 0.000 3.991 -0.000) 3.991 16.591 ( 0.000 1.799 -0.000) 1.799 16.669 ( 0.000 -1.115 0.000) 1.115 16.946 ( 0.000 6.014 -0.000) 6.014 17.043 ( 0.000 -3.151 0.000) 3.151 17.216 ( 0.000 -5.500 -0.000) 5.500 17.274 ( 0.000 -3.234 -0.000) 3.234 17.335 ( 0.000 7.768 0.000) 7.768 17.572 ( 0.000 -2.944 0.000) 2.944 17.806 ( 0.000 -2.057 -0.000) 2.057 17.818 ( 0.000 -2.824 -0.000) 2.824 18.069 ( 0.000 0.871 -0.000) 0.871 18.088 ( 0.000 0.091 0.000) 0.091 18.233 ( 0.000 2.997 0.000) 2.997 18.343 ( 0.000 -1.082 0.000) 1.082 18.630 ( 0.000 9.715 0.000) 9.715 18.722 ( 0.000 1.735 -0.000) 1.735 18.757 ( 0.000 -0.338 -0.000) 0.338 18.936 ( 0.000 -1.956 0.000) 1.956 18.984 ( 0.000 2.152 -0.000) 2.152 19.172 ( 0.000 -9.906 -0.000) 9.906 19.500 ( 0.000 1.240 -0.000) 1.240 19.586 ( 0.000 -4.108 -0.000) 4.108 19.801 ( 0.000 1.114 -0.000) 1.114 19.867 ( 0.000 -1.642 0.000) 1.642 20.194 ( 0.000 1.787 -0.000) 1.787 20.318 ( -0.000 -3.890 -0.000) 3.890 20.359 ( 0.000 6.046 -0.000) 6.046 20.558 ( 0.000 -5.157 -0.000) 5.157 21.091 ( 0.000 0.268 0.000) 0.268 21.143 ( 0.000 -1.904 -0.000) 1.904 21.197 ( 0.000 1.189 -0.000) 1.189 21.233 ( 0.000 -0.024 0.000) 0.024 21.722 ( 0.000 -0.875 -0.000) 0.875 21.742 ( 0.000 -1.522 0.000) 1.522 21.840 ( 0.000 -0.075 0.000) 0.075 21.858 ( 0.000 -1.098 -0.000) 1.098 22.014 ( 0.000 1.621 -0.000) 1.621 22.082 ( 0.000 -2.333 -0.000) 2.333 22.351 ( 0.000 1.915 -0.000) 1.915 22.455 ( 0.000 -3.142 -0.000) 3.142 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 -15.990 0.000) 15.990 0.945 ( 0.000 15.990 0.000) 15.990 1.371 ( 0.000 -20.208 0.000) 20.208 1.371 ( 0.000 20.208 0.000) 20.208 1.884 ( 0.000 -13.182 0.000) 13.182 1.884 ( 0.000 13.182 0.000) 13.182 2.097 ( 0.000 -5.678 0.000) 5.678 2.097 ( 0.000 5.678 0.000) 5.678 2.551 ( 0.000 -5.498 0.000) 5.498 2.551 ( 0.000 5.498 0.000) 5.498 2.663 ( 0.000 -9.620 0.000) 9.620 2.663 ( 0.000 9.620 0.000) 9.620 2.795 ( 0.000 -6.663 0.000) 6.663 2.795 ( 0.000 6.663 0.000) 6.663 3.058 ( 0.000 -8.603 0.000) 8.603 3.058 ( 0.000 8.603 0.000) 8.603 3.151 ( 0.000 -7.067 0.000) 7.067 3.151 ( 0.000 7.067 0.000) 7.067 3.313 ( 0.000 -3.081 0.000) 3.081 3.313 ( 0.000 3.081 0.000) 3.081 3.395 ( 0.000 -4.158 0.000) 4.158 3.395 ( 0.000 4.158 0.000) 4.158 3.680 ( 0.000 -3.072 0.000) 3.072 3.680 ( 0.000 3.072 0.000) 3.072 3.738 ( 0.000 -5.295 0.000) 5.295 3.738 ( 0.000 5.295 0.000) 5.295 3.854 ( 0.000 -6.138 0.000) 6.138 3.854 ( 0.000 6.138 0.000) 6.138 3.915 ( 0.000 -1.566 0.000) 1.566 3.915 ( 0.000 1.566 0.000) 1.566 4.151 ( 0.000 -0.990 0.000) 0.990 4.151 ( 0.000 0.990 0.000) 0.990 4.262 ( 0.000 -8.535 0.000) 8.535 4.262 ( 0.000 8.535 0.000) 8.535 4.458 ( 0.000 -1.535 0.000) 1.535 4.458 ( 0.000 1.535 0.000) 1.535 4.612 ( 0.000 -3.405 0.000) 3.405 4.612 ( 0.000 3.405 0.000) 3.405 4.687 ( 0.000 -0.163 0.000) 0.163 4.687 ( 0.000 0.163 0.000) 0.163 4.784 ( 0.000 -6.002 0.000) 6.002 4.784 ( 0.000 6.002 0.000) 6.002 4.875 ( 0.000 -1.355 0.000) 1.355 4.875 ( 0.000 1.355 0.000) 1.355 5.255 ( 0.000 -2.381 0.000) 2.381 5.255 ( 0.000 2.381 0.000) 2.381 5.308 ( 0.000 -6.183 0.000) 6.183 5.308 ( 0.000 6.183 0.000) 6.183 5.361 ( 0.000 -1.490 0.000) 1.490 5.361 ( 0.000 1.490 0.000) 1.490 5.681 ( 0.000 -5.325 0.000) 5.325 5.681 ( 0.000 5.325 0.000) 5.325 5.891 ( 0.000 -2.665 0.000) 2.665 5.891 ( 0.000 2.665 0.000) 2.665 5.916 ( 0.000 -6.069 0.000) 6.069 5.916 ( 0.000 6.069 0.000) 6.069 6.107 ( 0.000 -2.285 0.000) 2.285 6.107 ( 0.000 2.285 0.000) 2.285 6.425 ( 0.000 -6.727 0.000) 6.727 6.425 ( 0.000 6.727 0.000) 6.727 6.631 ( 0.000 -9.000 0.000) 9.000 6.631 ( 0.000 9.000 0.000) 9.000 6.701 ( 0.000 -5.083 0.000) 5.083 6.701 ( 0.000 5.083 0.000) 5.083 6.931 ( 0.000 -5.308 0.000) 5.308 6.931 ( 0.000 5.308 0.000) 5.308 6.992 ( 0.000 -8.822 0.000) 8.822 6.992 ( 0.000 8.822 0.000) 8.822 7.077 ( 0.000 -10.877 0.000) 10.877 7.077 ( 0.000 10.877 0.000) 10.877 7.217 ( 0.000 -1.680 0.000) 1.680 7.217 ( 0.000 1.680 0.000) 1.680 7.420 ( 0.000 -2.460 0.000) 2.460 7.420 ( 0.000 2.460 0.000) 2.460 7.697 ( 0.000 -0.439 0.000) 0.439 7.697 ( 0.000 0.439 0.000) 0.439 7.743 ( 0.000 -7.538 0.000) 7.538 7.743 ( 0.000 7.538 0.000) 7.538 8.061 ( 0.000 -2.108 0.000) 2.108 8.061 ( 0.000 2.108 0.000) 2.108 8.129 ( 0.000 -4.571 0.000) 4.571 8.129 ( 0.000 4.571 0.000) 4.571 8.318 ( 0.000 -0.325 0.000) 0.325 8.318 ( 0.000 0.325 0.000) 0.325 8.558 ( 0.000 -2.127 0.000) 2.127 8.558 ( 0.000 2.127 0.000) 2.127 8.601 ( 0.000 -0.071 0.000) 0.071 8.601 ( 0.000 0.071 0.000) 0.071 8.659 ( 0.000 -2.571 0.000) 2.571 8.659 ( 0.000 2.571 0.000) 2.571 9.036 ( 0.000 -7.715 0.000) 7.715 9.036 ( 0.000 7.715 0.000) 7.715 9.109 ( 0.000 -0.619 0.000) 0.619 9.109 ( 0.000 0.619 0.000) 0.619 9.563 ( 0.000 -5.113 0.000) 5.113 9.563 ( 0.000 5.113 0.000) 5.113 9.780 ( 0.000 -1.795 0.000) 1.795 9.780 ( 0.000 1.795 0.000) 1.795 10.183 ( 0.000 -2.659 0.000) 2.659 10.183 ( 0.000 2.659 0.000) 2.659 10.822 ( 0.000 -0.605 0.000) 0.605 10.822 ( 0.000 0.605 0.000) 0.605 11.011 ( 0.000 -4.538 0.000) 4.538 11.011 ( 0.000 4.538 0.000) 4.538 14.059 ( 0.000 -3.998 0.000) 3.998 14.059 ( 0.000 3.998 0.000) 3.998 14.123 ( 0.000 -2.697 0.000) 2.697 14.123 ( 0.000 2.697 0.000) 2.697 14.238 ( 0.000 -0.579 0.000) 0.579 14.238 ( 0.000 0.579 0.000) 0.579 14.410 ( 0.000 -2.474 0.000) 2.474 14.410 ( 0.000 2.474 0.000) 2.474 14.567 ( 0.000 -0.702 0.000) 0.702 14.567 ( 0.000 0.702 0.000) 0.702 14.804 ( 0.000 -0.652 0.000) 0.652 14.804 ( 0.000 0.652 0.000) 0.652 15.006 ( 0.000 -3.472 0.000) 3.472 15.006 ( 0.000 3.472 0.000) 3.472 15.236 ( 0.000 -2.498 0.000) 2.498 15.236 ( 0.000 2.498 0.000) 2.498 15.354 ( 0.000 -4.174 0.000) 4.174 15.354 ( 0.000 4.174 0.000) 4.174 15.553 ( 0.000 -3.420 0.000) 3.420 15.553 ( 0.000 3.420 0.000) 3.420 15.852 ( 0.000 -0.906 0.000) 0.906 15.852 ( 0.000 0.906 0.000) 0.906 16.147 ( 0.000 -2.952 0.000) 2.952 16.147 ( 0.000 2.952 0.000) 2.952 16.314 ( 0.000 -2.299 0.000) 2.299 16.314 ( 0.000 2.299 0.000) 2.299 16.786 ( 0.000 -8.451 0.000) 8.451 16.786 ( 0.000 8.451 0.000) 8.451 17.416 ( 0.000 -3.524 0.000) 3.524 17.416 ( 0.000 3.524 0.000) 3.524 17.702 ( 0.000 -5.362 0.000) 5.362 17.702 ( 0.000 5.362 0.000) 5.362 17.797 ( 0.000 -0.661 0.000) 0.661 17.797 ( 0.000 0.661 0.000) 0.661 18.038 ( 0.000 -0.627 0.000) 0.627 18.038 ( 0.000 0.627 0.000) 0.627 18.322 ( 0.000 -2.909 0.000) 2.909 18.322 ( 0.000 2.909 0.000) 2.909 18.605 ( 0.000 -5.944 0.000) 5.944 18.605 ( 0.000 5.944 0.000) 5.944 18.731 ( 0.000 -0.579 0.000) 0.579 18.731 ( 0.000 0.579 0.000) 0.579 19.216 ( 0.000 -1.961 0.000) 1.961 19.216 ( 0.000 1.961 0.000) 1.961 19.622 ( 0.000 -2.453 0.000) 2.453 19.622 ( 0.000 2.453 0.000) 2.453 19.825 ( 0.000 -2.093 0.000) 2.093 19.825 ( 0.000 2.093 0.000) 2.093 20.146 ( 0.000 -0.310 0.000) 0.310 20.146 ( 0.000 0.310 0.000) 0.310 20.747 ( 0.000 -3.149 0.000) 3.149 20.747 ( 0.000 3.149 0.000) 3.149 21.134 ( 0.000 -0.443 0.000) 0.443 21.134 ( 0.000 0.443 0.000) 0.443 21.481 ( 0.000 -1.041 0.000) 1.041 21.481 ( 0.000 1.041 0.000) 1.041 21.707 ( 0.000 -1.182 0.000) 1.182 21.707 ( 0.000 1.182 0.000) 1.182 21.802 ( 0.000 -2.054 0.000) 2.054 21.802 ( 0.000 2.054 0.000) 2.054 21.913 ( 0.000 -0.157 0.000) 0.157 21.913 ( 0.000 0.157 0.000) 0.157 22.130 ( 0.000 -0.136 0.000) 0.136 22.130 ( 0.000 0.136 0.000) 0.136 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 4.720 -13.789 -3.053) 14.891 1.003 ( 4.720 13.789 -3.053) 14.891 1.472 ( 9.068 -16.687 7.361) 20.368 1.472 ( 9.068 16.687 7.361) 20.369 1.936 ( 3.110 -8.217 5.631) 10.435 1.936 ( 3.110 8.217 5.631) 10.435 2.060 ( -1.476 -2.882 -9.120) 9.677 2.060 ( -1.476 2.882 -9.120) 9.677 2.481 ( -5.998 -9.815 -3.604) 12.054 2.481 ( -5.998 9.815 -3.604) 12.054 2.618 ( -5.024 -6.252 7.132) 10.733 2.618 ( -5.024 6.252 7.132) 10.733 2.803 ( 1.110 -7.339 4.573) 8.718 2.803 ( 1.110 7.339 4.573) 8.718 3.020 ( -6.722 -3.529 -3.389) 8.314 3.020 ( -6.722 3.529 -3.389) 8.314 3.104 ( 2.793 -6.824 -5.596) 9.256 3.104 ( 2.793 6.824 -5.596) 9.257 3.327 ( -1.575 -1.826 2.107) 3.203 3.327 ( -1.575 1.826 2.107) 3.203 3.448 ( 2.616 -1.710 -3.891) 4.991 3.448 ( 2.616 1.710 -3.891) 4.991 3.580 ( -4.620 -4.187 2.147) 6.594 3.580 ( -4.620 4.187 2.147) 6.594 3.733 ( -1.520 -3.377 -3.202) 4.895 3.733 ( -1.520 3.377 -3.202) 4.895 3.840 ( 1.336 -4.001 5.890) 7.245 3.840 ( 1.336 4.001 5.890) 7.245 3.962 ( 0.371 -3.621 0.074) 3.640 3.962 ( 0.371 3.621 0.074) 3.640 4.140 ( -0.423 -3.714 2.396) 4.440 4.140 ( -0.423 3.714 2.396) 4.440 4.291 ( -0.737 -2.842 3.147) 4.304 4.291 ( -0.737 2.842 3.147) 4.304 4.468 ( -1.481 -1.583 -3.432) 4.059 4.468 ( -1.481 1.583 -3.432) 4.059 4.527 ( 2.717 -6.075 -1.590) 6.843 4.527 ( 2.717 6.075 -1.590) 6.843 4.766 ( 1.172 -5.356 4.177) 6.893 4.766 ( 1.172 5.356 4.177) 6.893 4.864 ( 5.563 -4.771 0.483) 7.344 4.864 ( 5.563 4.771 0.483) 7.344 4.982 ( 11.265 -3.146 -9.762) 15.235 4.982 ( 11.265 3.146 -9.762) 15.235 5.212 ( -3.611 -1.326 -1.699) 4.205 5.212 ( -3.611 1.326 -1.699) 4.205 5.309 ( 1.147 -4.411 1.011) 4.668 5.309 ( 1.147 4.411 1.011) 4.668 5.384 ( 2.876 -5.013 5.346) 7.873 5.384 ( 2.876 5.013 5.346) 7.873 5.699 ( -0.132 -4.183 -2.345) 4.797 5.699 ( -0.132 4.183 -2.345) 4.797 5.868 ( -0.754 -2.975 2.071) 3.703 5.868 ( -0.754 2.975 2.071) 3.703 5.958 ( 1.144 -2.372 -3.020) 4.007 5.958 ( 1.144 2.372 -3.020) 4.007 6.088 ( -2.051 -3.887 6.182) 7.585 6.088 ( -2.051 3.887 6.182) 7.585 6.392 ( -3.734 -5.598 -2.857) 7.311 6.392 ( -3.734 5.598 -2.857) 7.311 6.546 ( -7.760 -4.721 1.880) 9.276 6.546 ( -7.760 4.721 1.880) 9.276 6.618 ( -1.486 -5.871 -0.654) 6.091 6.618 ( -1.486 5.871 -0.654) 6.091 6.867 ( -6.757 -5.341 1.534) 8.748 6.867 ( -6.757 5.341 1.534) 8.748 6.991 ( -2.923 -5.267 -8.066) 10.067 6.991 ( -2.923 5.267 -8.066) 10.067 7.103 ( 5.462 -7.713 -5.005) 10.694 7.103 ( 5.462 7.713 -5.005) 10.694 7.260 ( 2.411 -3.456 -1.329) 4.419 7.260 ( 2.411 3.456 -1.329) 4.419 7.332 ( -6.415 -2.690 5.607) 8.935 7.332 ( -6.415 2.690 5.607) 8.935 7.619 ( -2.124 -7.002 -7.865) 10.742 7.619 ( -2.124 7.002 -7.865) 10.742 7.829 ( 4.087 -5.344 7.029) 9.730 7.829 ( 4.087 5.344 7.029) 9.730 8.018 ( -5.787 -4.956 0.243) 7.622 8.018 ( -5.787 4.956 0.243) 7.622 8.198 ( 4.346 -1.231 5.377) 7.022 8.198 ( 4.346 1.231 5.377) 7.022 8.331 ( -1.222 -0.211 2.598) 2.879 8.331 ( -1.222 0.211 2.598) 2.879 8.489 ( -1.107 -3.106 -0.976) 3.439 8.489 ( -1.107 3.106 -0.976) 3.439 8.618 ( 0.931 -2.679 5.550) 6.233 8.618 ( 0.931 2.679 5.550) 6.233 8.720 ( 4.385 -2.039 -2.927) 5.652 8.720 ( 4.385 2.039 -2.927) 5.652 9.010 ( -2.534 -7.545 -3.789) 8.815 9.010 ( -2.534 7.545 -3.789) 8.815 9.259 ( 11.598 -0.192 -0.002) 11.599 9.259 ( 11.598 0.192 -0.002) 11.599 9.567 ( 0.585 -3.421 -0.513) 3.508 9.567 ( 0.585 3.421 -0.513) 3.508 9.842 ( 5.594 -1.910 -4.111) 7.200 9.842 ( 5.594 1.910 -4.111) 7.200 10.244 ( 5.500 -2.673 1.835) 6.384 10.244 ( 5.500 2.673 1.835) 6.384 10.777 ( -4.361 -1.331 3.967) 6.044 10.777 ( -4.361 1.331 3.967) 6.044 11.006 ( -0.359 -5.382 -3.045) 6.194 11.006 ( -0.359 5.382 -3.045) 6.194 14.020 ( -3.445 -2.635 0.931) 4.436 14.020 ( -3.445 2.635 0.931) 4.436 14.124 ( 0.343 -4.709 -0.942) 4.815 14.124 ( 0.343 4.709 -0.942) 4.815 14.213 ( -1.695 -1.665 2.954) 3.790 14.213 ( -1.695 1.665 2.954) 3.790 14.449 ( 2.506 -0.551 -2.187) 3.372 14.449 ( 2.506 0.551 -2.187) 3.372 14.571 ( 0.468 -1.745 0.460) 1.864 14.571 ( 0.468 1.745 0.460) 1.864 14.767 ( -2.923 -2.446 -0.248) 3.820 14.767 ( -2.923 2.446 -0.248) 3.820 15.018 ( 1.461 -3.498 -0.204) 3.796 15.018 ( 1.461 3.498 -0.204) 3.796 15.231 ( -0.222 -1.278 1.213) 1.775 15.231 ( -0.222 1.278 1.213) 1.775 15.415 ( 4.343 -4.068 0.111) 5.952 15.415 ( 4.343 4.068 0.111) 5.952 15.502 ( -3.792 -2.833 -4.984) 6.874 15.502 ( -3.792 2.833 -4.984) 6.874 15.819 ( -2.428 -3.011 2.709) 4.722 15.819 ( -2.428 3.011 2.709) 4.722 16.108 ( -3.807 -5.132 -0.768) 6.436 16.108 ( -3.807 5.132 -0.768) 6.436 16.387 ( 6.281 -4.564 4.114) 8.787 16.387 ( 6.281 4.564 4.114) 8.787 16.848 ( 5.398 -6.298 -2.890) 8.784 16.848 ( 5.398 6.298 -2.890) 8.784 17.355 ( -5.426 -6.018 2.024) 8.352 17.355 ( -5.426 6.018 2.024) 8.352 17.663 ( -4.024 -3.791 1.957) 5.864 17.663 ( -4.024 3.791 1.957) 5.864 17.782 ( -0.632 -0.525 0.586) 1.009 17.782 ( -0.632 0.525 0.586) 1.009 18.063 ( 1.646 -0.990 -1.388) 2.370 18.063 ( 1.646 0.990 -1.388) 2.370 18.307 ( -0.887 -2.806 -0.263) 2.954 18.307 ( -0.887 2.806 -0.263) 2.954 18.666 ( 4.949 -7.162 -1.413) 8.820 18.666 ( 4.949 7.162 -1.413) 8.820 18.734 ( 0.326 -0.416 0.023) 0.529 18.734 ( 0.326 0.416 0.023) 0.529 19.174 ( -3.622 -2.428 -0.648) 4.408 19.174 ( -3.622 2.428 -0.648) 4.408 19.601 ( -1.847 -3.075 -0.601) 3.637 19.601 ( -1.847 3.075 -0.601) 3.637 19.835 ( 0.390 -1.702 2.414) 2.979 19.835 ( 0.390 1.702 2.414) 2.979 20.147 ( 0.711 -2.705 -0.829) 2.917 20.147 ( 0.711 2.705 -0.829) 2.917 20.684 ( -5.553 -3.835 -0.243) 6.753 20.684 ( -5.553 3.835 -0.243) 6.753 21.155 ( 1.010 -2.480 2.344) 3.558 21.155 ( 1.010 2.480 2.344) 3.558 21.353 ( -8.054 -2.472 -3.453) 9.105 21.353 ( -8.054 2.472 -3.453) 9.105 21.697 ( -0.236 -1.448 -0.405) 1.522 21.697 ( -0.236 1.448 -0.405) 1.522 21.838 ( 0.654 -2.761 0.081) 2.839 21.838 ( 0.654 2.761 0.081) 2.839 21.935 ( 3.449 -1.266 0.612) 3.725 21.935 ( 3.449 1.266 0.612) 3.725 22.233 ( 7.042 -2.705 0.011) 7.544 22.233 ( 7.042 2.705 0.011) 7.544 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.392 -8.878 0.782) 10.417 1.112 ( 5.392 8.878 0.782) 10.417 1.707 ( 7.887 -7.970 1.893) 11.372 1.707 ( 7.887 7.970 1.893) 11.372 1.936 ( 1.065 -0.185 0.987) 1.464 1.936 ( 1.065 0.185 0.987) 1.464 2.092 ( 2.439 -5.689 -3.181) 6.959 2.092 ( 2.439 5.689 -3.181) 6.959 2.394 ( -0.253 -4.439 -0.601) 4.487 2.394 ( -0.253 4.439 -0.601) 4.487 2.507 ( -5.319 -12.606 4.136) 14.293 2.507 ( -5.319 12.606 4.136) 14.293 2.735 ( -7.851 -4.256 1.784) 9.107 2.735 ( -7.851 4.256 1.784) 9.107 2.956 ( 0.530 -2.952 1.166) 3.218 2.956 ( 0.530 2.952 1.166) 3.218 3.136 ( -2.130 -7.619 -2.860) 8.412 3.136 ( -2.130 7.619 -2.860) 8.412 3.283 ( 0.395 -10.042 -1.818) 10.213 3.283 ( 0.395 10.042 -1.818) 10.213 3.416 ( -3.673 -3.594 -4.713) 6.973 3.416 ( -3.673 3.594 -4.713) 6.973 3.506 ( -2.666 -6.973 2.415) 7.846 3.506 ( -2.666 6.973 2.415) 7.846 3.735 ( 1.904 -1.382 1.337) 2.706 3.735 ( 1.904 1.382 1.337) 2.706 3.879 ( -1.682 -7.649 1.778) 8.031 3.879 ( -1.682 7.649 1.778) 8.031 3.993 ( 6.127 -1.360 -2.354) 6.703 3.993 ( 6.127 1.360 -2.354) 6.703 4.166 ( 0.136 -7.107 1.926) 7.365 4.166 ( 0.136 7.107 1.926) 7.365 4.266 ( -0.946 -5.970 3.473) 6.971 4.266 ( -0.946 5.970 3.473) 6.971 4.386 ( -1.809 -1.273 1.307) 2.570 4.386 ( -1.809 1.273 1.307) 2.570 4.612 ( 0.922 -8.375 -4.878) 9.736 4.612 ( 0.922 8.375 -4.878) 9.736 4.749 ( -2.876 -2.862 1.542) 4.341 4.749 ( -2.876 2.862 1.542) 4.341 5.008 ( 6.244 -7.389 -0.550) 9.690 5.008 ( 6.244 7.389 -0.550) 9.690 5.173 ( 4.929 -10.945 -1.890) 12.151 5.173 ( 4.929 10.945 -1.890) 12.151 5.210 ( 6.130 -2.776 -3.799) 7.727 5.210 ( 6.130 2.776 -3.799) 7.727 5.389 ( 5.477 -1.020 -0.883) 5.641 5.389 ( 5.477 1.020 -0.883) 5.641 5.488 ( 5.618 -3.834 13.211) 14.859 5.488 ( 5.618 3.834 13.211) 14.859 5.633 ( -3.446 -7.849 -9.592) 12.864 5.633 ( -3.446 7.849 -9.592) 12.864 5.814 ( -3.945 -1.790 0.495) 4.360 5.814 ( -3.945 1.790 0.495) 4.360 5.959 ( -3.952 -5.200 1.373) 6.674 5.959 ( -3.952 5.200 1.373) 6.674 6.051 ( -0.452 -1.380 5.839) 6.016 6.051 ( -0.452 1.380 5.839) 6.016 6.286 ( -4.772 -3.056 2.556) 6.217 6.286 ( -4.772 3.056 2.556) 6.217 6.436 ( -0.550 -2.056 -9.109) 9.355 6.436 ( -0.550 2.056 -9.109) 9.355 6.631 ( -1.961 -4.826 -3.793) 6.444 6.631 ( -1.961 4.826 -3.793) 6.444 6.744 ( -2.426 -2.219 0.464) 3.320 6.744 ( -2.426 2.219 0.464) 3.320 6.880 ( -4.305 -3.390 -1.015) 5.573 6.880 ( -4.305 3.390 -1.015) 5.573 7.054 ( -6.987 -1.075 0.627) 7.097 7.054 ( -6.987 1.075 0.627) 7.097 7.288 ( 3.816 -1.666 1.286) 4.358 7.288 ( 3.816 1.666 1.286) 4.358 7.412 ( 6.110 -6.501 1.407) 9.032 7.412 ( 6.110 6.501 1.407) 9.032 7.550 ( -3.881 -11.413 -10.600) 16.052 7.550 ( -3.881 11.413 -10.600) 16.052 7.819 ( -1.428 -2.228 0.368) 2.671 7.819 ( -1.428 2.228 0.368) 2.671 7.969 ( -3.004 -5.784 10.030) 11.961 7.969 ( -3.004 5.784 10.030) 11.961 8.221 ( -1.613 -0.630 0.934) 1.967 8.221 ( -1.613 0.630 0.934) 1.967 8.305 ( 0.176 -4.860 5.928) 7.667 8.305 ( 0.176 4.860 5.928) 7.667 8.520 ( 2.357 -4.916 -3.730) 6.606 8.520 ( 2.357 4.916 -3.730) 6.606 8.674 ( 3.267 -3.146 2.996) 5.436 8.674 ( 3.267 3.146 2.996) 5.436 8.789 ( 1.703 -0.942 -1.714) 2.594 8.789 ( 1.703 0.942 -1.714) 2.594 8.941 ( -2.627 -7.273 -3.132) 8.343 8.941 ( -2.627 7.273 -3.132) 8.343 9.446 ( 4.266 -3.981 2.406) 6.312 9.446 ( 4.266 3.981 2.406) 6.312 9.594 ( 1.743 -3.375 -0.268) 3.808 9.594 ( 1.743 3.375 -0.268) 3.808 10.001 ( 10.341 -3.610 -6.290) 12.631 10.001 ( 10.341 3.610 -6.290) 12.631 10.377 ( 5.143 -1.252 0.132) 5.295 10.377 ( 5.143 1.252 0.132) 5.295 10.671 ( -5.762 -2.103 6.122) 8.666 10.671 ( -5.762 2.103 6.122) 8.666 10.982 ( -1.268 -5.555 -3.138) 6.504 10.982 ( -1.268 5.555 -3.138) 6.504 13.948 ( -2.862 -0.772 0.910) 3.101 13.948 ( -2.862 0.772 0.910) 3.101 14.134 ( 0.698 -5.716 -0.623) 5.792 14.134 ( 0.698 5.716 -0.623) 5.792 14.184 ( -1.507 -1.776 1.852) 2.976 14.184 ( -1.507 1.776 1.852) 2.976 14.480 ( 0.907 -1.383 -2.204) 2.755 14.480 ( 0.907 1.383 -2.204) 2.755 14.587 ( 0.905 -4.149 -0.292) 4.257 14.587 ( 0.905 4.149 -0.292) 4.257 14.707 ( -2.409 -1.991 1.566) 3.496 14.707 ( -2.409 1.991 1.566) 3.496 15.073 ( 3.490 -2.419 0.706) 4.305 15.073 ( 3.490 2.419 0.706) 4.305 15.225 ( -0.863 -0.464 1.231) 1.573 15.225 ( -0.863 0.464 1.231) 1.573 15.385 ( -4.454 -0.511 -5.121) 6.806 15.385 ( -4.454 0.511 -5.121) 6.806 15.511 ( 2.988 -1.933 -1.043) 3.709 15.511 ( 2.988 1.933 -1.043) 3.709 15.793 ( -0.136 -2.792 3.262) 4.296 15.793 ( -0.136 2.792 3.262) 4.296 16.011 ( -4.644 -2.325 -0.035) 5.194 16.011 ( -4.644 2.325 -0.035) 5.194 16.548 ( 7.357 -4.825 1.591) 8.941 16.548 ( 7.357 4.825 1.591) 8.941 16.963 ( 4.697 -4.915 -1.561) 6.976 16.963 ( 4.697 4.915 -1.561) 6.976 17.237 ( -4.842 -5.999 1.857) 7.930 17.237 ( -4.842 5.999 1.857) 7.930 17.555 ( -5.764 -5.838 1.897) 8.420 17.555 ( -5.764 5.838 1.897) 8.420 17.783 ( 0.373 -0.328 0.039) 0.499 17.783 ( 0.373 0.328 0.039) 0.499 18.081 ( 0.358 -0.821 -1.212) 1.507 18.081 ( 0.358 0.821 -1.212) 1.507 18.297 ( -0.021 -3.087 -0.518) 3.130 18.297 ( -0.021 3.087 -0.518) 3.130 18.740 ( 0.525 -0.579 0.601) 0.986 18.740 ( 0.525 0.579 0.601) 0.986 18.774 ( 4.445 -8.769 -1.359) 9.925 18.774 ( 4.445 8.769 -1.359) 9.925 19.085 ( -4.029 -3.541 -0.507) 5.388 19.085 ( -4.029 3.541 -0.507) 5.388 19.555 ( -2.025 -2.797 -0.145) 3.456 19.555 ( -2.025 2.797 -0.145) 3.456 19.837 ( -0.503 -1.889 1.492) 2.460 19.837 ( -0.503 1.889 1.492) 2.460 20.191 ( 3.425 -2.719 -0.452) 4.396 20.191 ( 3.425 2.719 -0.452) 4.396 20.547 ( -6.461 -3.844 -0.359) 7.526 20.547 ( -6.461 3.844 -0.359) 7.526 21.145 ( -2.581 -1.514 1.115) 3.193 21.145 ( -2.581 1.514 1.115) 3.193 21.235 ( -1.939 -0.377 -1.528) 2.498 21.235 ( -1.939 0.377 -1.528) 2.498 21.706 ( 0.898 -1.016 0.477) 1.438 21.706 ( 0.898 1.016 0.477) 1.438 21.842 ( 0.136 -1.587 -0.703) 1.741 21.842 ( 0.136 1.587 -0.703) 1.741 22.013 ( 2.979 -1.588 0.071) 3.377 22.013 ( 2.979 1.588 0.071) 3.377 22.355 ( 3.985 -3.155 -0.009) 5.082 22.355 ( 3.985 3.155 -0.009) 5.082 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 -1.610 0.000) 1.610 1.182 ( 0.000 1.610 -0.000) 1.610 1.742 ( 0.000 -2.087 0.000) 2.087 1.742 ( 0.000 2.087 -0.000) 2.087 2.014 ( 0.000 -1.714 -0.000) 1.714 2.014 ( 0.000 1.714 0.000) 1.714 2.122 ( 0.000 -6.027 -0.000) 6.027 2.122 ( 0.000 6.027 0.000) 6.027 2.407 ( 0.000 -4.548 -0.000) 4.548 2.407 ( 0.000 4.548 -0.000) 4.548 2.448 ( 0.000 -6.386 -0.000) 6.386 2.448 ( 0.000 6.386 -0.000) 6.386 2.625 ( 0.000 -5.297 0.000) 5.297 2.625 ( 0.000 5.297 0.000) 5.297 2.970 ( 0.000 -3.694 -0.000) 3.694 2.970 ( 0.000 3.694 0.000) 3.694 3.060 ( 0.000 -0.139 -0.000) 0.139 3.060 ( 0.000 0.139 -0.000) 0.139 3.316 ( 0.000 -2.582 -0.000) 2.582 3.316 ( 0.000 2.582 0.000) 2.582 3.381 ( 0.000 -8.218 0.000) 8.218 3.381 ( 0.000 8.218 0.000) 8.218 3.461 ( 0.000 -1.649 0.000) 1.649 3.461 ( 0.000 1.649 -0.000) 1.649 3.767 ( 0.000 -0.488 -0.000) 0.488 3.767 ( 0.000 0.488 0.000) 0.488 3.855 ( 0.000 -10.841 0.000) 10.841 3.855 ( 0.000 10.841 0.000) 10.841 4.094 ( 0.000 -0.615 -0.000) 0.615 4.094 ( 0.000 0.615 -0.000) 0.615 4.132 ( -0.000 -6.216 0.000) 6.216 4.132 ( -0.000 6.216 0.000) 6.216 4.257 ( 0.000 -0.898 -0.000) 0.898 4.257 ( 0.000 0.898 -0.000) 0.898 4.403 ( -0.000 -1.845 -0.000) 1.845 4.403 ( 0.000 1.845 -0.000) 1.845 4.597 ( 0.000 -6.727 0.000) 6.727 4.597 ( 0.000 6.727 0.000) 6.727 4.700 ( 0.000 -4.793 -0.000) 4.793 4.700 ( 0.000 4.793 -0.000) 4.793 5.075 ( 0.000 -7.633 -0.000) 7.633 5.075 ( 0.000 7.633 0.000) 7.633 5.224 ( 0.000 -1.869 -0.000) 1.869 5.224 ( 0.000 1.869 0.000) 1.869 5.292 ( 0.000 -0.290 -0.000) 0.290 5.292 ( 0.000 0.290 -0.000) 0.290 5.458 ( -0.000 -8.570 -0.000) 8.570 5.458 ( 0.000 8.570 -0.000) 8.570 5.582 ( 0.000 -3.424 0.000) 3.424 5.582 ( 0.000 3.424 0.000) 3.424 5.643 ( 0.000 -2.643 -0.000) 2.643 5.643 ( -0.000 2.643 -0.000) 2.643 5.725 ( 0.000 -3.778 -0.000) 3.778 5.725 ( 0.000 3.778 0.000) 3.778 5.904 ( 0.000 -3.880 0.000) 3.880 5.904 ( 0.000 3.880 0.000) 3.880 6.006 ( 0.000 -1.607 0.000) 1.607 6.006 ( 0.000 1.607 0.000) 1.607 6.280 ( 0.000 -4.241 -0.000) 4.241 6.280 ( 0.000 4.241 -0.000) 4.241 6.423 ( 0.000 -3.674 0.000) 3.674 6.423 ( 0.000 3.674 -0.000) 3.674 6.570 ( 0.000 -11.041 -0.000) 11.041 6.570 ( -0.000 11.041 0.000) 11.041 6.713 ( -0.000 -1.063 0.000) 1.063 6.713 ( 0.000 1.063 -0.000) 1.063 6.854 ( 0.000 -3.309 -0.000) 3.309 6.854 ( 0.000 3.309 0.000) 3.309 6.992 ( 0.000 -5.138 0.000) 5.138 6.992 ( 0.000 5.138 -0.000) 5.138 7.338 ( 0.000 -1.193 -0.000) 1.193 7.338 ( 0.000 1.193 -0.000) 1.193 7.383 ( -0.000 -13.135 -0.000) 13.135 7.383 ( 0.000 13.135 0.000) 13.135 7.594 ( 0.000 -3.185 -0.000) 3.185 7.594 ( 0.000 3.185 0.000) 3.185 7.782 ( 0.000 -3.782 -0.000) 3.782 7.782 ( 0.000 3.782 -0.000) 3.782 7.937 ( 0.000 -1.002 0.000) 1.002 7.937 ( 0.000 1.002 0.000) 1.002 8.191 ( 0.000 -2.026 -0.000) 2.026 8.191 ( 0.000 2.026 -0.000) 2.026 8.328 ( 0.000 -3.551 -0.000) 3.551 8.328 ( 0.000 3.551 -0.000) 3.551 8.545 ( 0.000 -4.317 -0.000) 4.317 8.545 ( 0.000 4.317 -0.000) 4.317 8.733 ( 0.000 -0.241 -0.000) 0.241 8.733 ( 0.000 0.241 0.000) 0.241 8.779 ( -0.000 -6.284 -0.000) 6.284 8.779 ( 0.000 6.284 0.000) 6.284 8.915 ( 0.000 -0.386 -0.000) 0.386 8.915 ( 0.000 0.386 0.000) 0.386 9.482 ( 0.000 -6.674 0.000) 6.674 9.482 ( 0.000 6.675 -0.000) 6.675 9.613 ( 0.000 -6.061 -0.000) 6.061 9.613 ( 0.000 6.061 0.000) 6.061 10.152 ( 0.000 -4.525 -0.000) 4.525 10.152 ( 0.000 4.525 -0.000) 4.525 10.410 ( 0.000 -5.470 0.000) 5.470 10.410 ( 0.000 5.470 0.000) 5.470 10.612 ( 0.000 -3.493 0.000) 3.493 10.612 ( 0.000 3.493 -0.000) 3.493 10.961 ( 0.000 -4.402 -0.000) 4.402 10.961 ( 0.000 4.402 -0.000) 4.402 13.917 ( 0.000 -1.057 -0.000) 1.057 13.917 ( 0.000 1.057 -0.000) 1.057 14.145 ( 0.000 -5.093 0.000) 5.093 14.145 ( 0.000 5.093 -0.000) 5.093 14.164 ( 0.000 -0.406 0.000) 0.406 14.164 ( 0.000 0.406 -0.000) 0.406 14.486 ( 0.000 -1.107 0.000) 1.107 14.486 ( 0.000 1.107 -0.000) 1.107 14.599 ( 0.000 -2.602 0.000) 2.602 14.599 ( 0.000 2.602 0.000) 2.602 14.682 ( 0.000 -1.382 0.000) 1.382 14.682 ( 0.000 1.382 0.000) 1.382 15.133 ( 0.000 -2.398 0.000) 2.398 15.133 ( -0.000 2.398 0.000) 2.398 15.201 ( 0.000 -1.051 0.000) 1.051 15.201 ( -0.000 1.051 -0.000) 1.051 15.325 ( 0.000 -1.745 0.000) 1.745 15.325 ( 0.000 1.745 -0.000) 1.745 15.540 ( 0.000 -0.083 0.000) 0.083 15.540 ( 0.000 0.083 0.000) 0.083 15.808 ( 0.000 -0.493 0.000) 0.493 15.808 ( 0.000 0.493 0.000) 0.493 15.949 ( 0.000 -1.599 -0.000) 1.599 15.949 ( 0.000 1.599 -0.000) 1.599 16.643 ( 0.000 -2.513 -0.000) 2.513 16.643 ( 0.000 2.513 -0.000) 2.513 17.001 ( 0.000 -0.765 -0.000) 0.765 17.001 ( 0.000 0.765 0.000) 0.765 17.197 ( 0.000 -3.456 -0.000) 3.456 17.197 ( 0.000 3.456 -0.000) 3.456 17.480 ( 0.000 -6.607 0.000) 6.607 17.480 ( 0.000 6.607 0.000) 6.607 17.788 ( 0.000 -0.294 -0.000) 0.294 17.788 ( 0.000 0.294 0.000) 0.294 18.082 ( 0.000 -0.521 -0.000) 0.521 18.082 ( 0.000 0.521 0.000) 0.521 18.297 ( 0.000 -3.345 0.000) 3.345 18.297 ( 0.000 3.345 0.000) 3.345 18.746 ( 0.000 -0.843 -0.000) 0.843 18.746 ( 0.000 0.843 -0.000) 0.843 18.828 ( 0.000 -9.679 0.000) 9.679 18.828 ( 0.000 9.679 0.000) 9.679 19.034 ( 0.000 -3.836 -0.000) 3.836 19.034 ( 0.000 3.836 -0.000) 3.836 19.531 ( 0.000 -2.103 -0.000) 2.103 19.531 ( 0.000 2.103 -0.000) 2.103 19.831 ( 0.000 -1.928 -0.000) 1.928 19.831 ( 0.000 1.928 -0.000) 1.928 20.245 ( 0.000 -3.520 -0.000) 3.520 20.245 ( -0.000 3.520 -0.000) 3.520 20.461 ( 0.000 -5.022 -0.000) 5.022 20.461 ( 0.000 5.022 -0.000) 5.022 21.109 ( 0.000 -1.496 0.000) 1.496 21.109 ( 0.000 1.496 -0.000) 1.496 21.221 ( 0.000 -1.101 -0.000) 1.101 21.221 ( 0.000 1.101 0.000) 1.101 21.720 ( 0.000 -0.659 -0.000) 0.659 21.720 ( 0.000 0.659 0.000) 0.659 21.842 ( 0.000 -0.459 -0.000) 0.459 21.842 ( 0.000 0.459 -0.000) 0.459 22.045 ( 0.000 -1.684 -0.000) 1.684 22.045 ( 0.000 1.684 0.000) 1.684 22.396 ( 0.000 -2.864 -0.000) 2.864 22.396 ( 0.000 2.864 0.000) 2.864 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 3.692 0.000 27.700) 27.945 0.551 ( 8.203 0.000 28.374) 29.536 1.159 ( 7.953 0.000 57.744) 58.289 1.583 ( 0.339 0.000 2.855) 2.875 1.952 ( -7.368 0.000 11.557) 13.706 1.957 ( -1.415 0.000 -18.095) 18.150 2.123 ( -0.940 0.000 3.741) 3.857 2.264 ( -3.284 0.000 0.665) 3.351 2.316 ( -6.288 0.000 3.352) 7.126 2.396 ( -4.834 0.000 -5.470) 7.300 2.512 ( 4.771 0.000 6.268) 7.878 2.546 ( -1.891 0.000 2.864) 3.432 2.595 ( 4.613 0.000 4.864) 6.704 2.827 ( -3.514 0.000 6.093) 7.034 2.972 ( -2.785 0.000 7.772) 8.256 3.092 ( -2.116 0.000 -3.285) 3.907 3.122 ( 1.901 0.000 -3.881) 4.321 3.152 ( 2.753 0.000 1.168) 2.991 3.360 ( -0.820 0.000 1.766) 1.947 3.425 ( -2.860 0.000 3.073) 4.198 3.554 ( 4.607 0.000 -6.650) 8.090 3.574 ( -1.227 0.000 -1.273) 1.768 3.592 ( -0.060 0.000 0.883) 0.885 3.651 ( 2.874 0.000 -4.573) 5.401 3.744 ( 4.485 0.000 -18.109) 18.656 3.798 ( -1.605 0.000 -2.684) 3.127 3.839 ( -0.275 0.000 -3.071) 3.083 3.876 ( -6.235 0.000 -12.028) 13.548 3.900 ( 1.462 0.000 4.164) 4.413 4.053 ( -4.174 0.000 2.583) 4.909 4.111 ( 3.992 0.000 -6.364) 7.512 4.200 ( -9.735 0.000 -9.152) 13.361 4.208 ( -0.115 0.000 2.470) 2.473 4.290 ( 3.026 0.000 -2.911) 4.199 4.448 ( 5.956 0.000 3.073) 6.702 4.507 ( 3.626 0.000 5.664) 6.725 4.567 ( -2.940 0.000 -1.471) 3.287 4.648 ( 1.105 0.000 4.280) 4.420 4.715 ( -0.373 0.000 8.107) 8.115 4.920 ( -1.765 0.000 -3.557) 3.971 4.933 ( -0.928 0.000 11.647) 11.684 5.022 ( 2.141 0.000 1.248) 2.479 5.071 ( 4.752 0.000 -0.370) 4.766 5.154 ( 4.371 0.000 7.196) 8.419 5.235 ( -1.152 0.000 1.474) 1.870 5.243 ( -8.123 0.000 -7.262) 10.896 5.416 ( -1.901 0.000 -0.325) 1.929 5.575 ( -7.080 0.000 -8.559) 11.108 5.623 ( -0.661 0.000 1.718) 1.841 5.659 ( -4.467 0.000 -11.117) 11.981 5.740 ( 12.268 0.000 -2.842) 12.593 5.843 ( 0.738 0.000 2.021) 2.152 5.851 ( -8.638 0.000 -9.148) 12.582 5.970 ( -3.130 0.000 -4.863) 5.783 6.056 ( 5.799 0.000 -4.108) 7.107 6.090 ( -3.929 0.000 1.232) 4.117 6.115 ( -1.432 0.000 -5.844) 6.016 6.266 ( 6.486 0.000 2.215) 6.854 6.276 ( -1.339 0.000 5.980) 6.128 6.323 ( -3.352 0.000 -13.633) 14.039 6.438 ( 0.085 0.000 -5.172) 5.172 6.452 ( -1.238 0.000 -1.923) 2.287 6.471 ( 0.172 0.000 12.366) 12.368 6.747 ( 0.731 0.000 7.133) 7.171 6.753 ( 1.373 0.000 5.927) 6.084 6.789 ( -10.926 0.000 -2.592) 11.229 7.003 ( 0.993 0.000 -3.941) 4.064 7.043 ( 4.648 0.000 1.114) 4.779 7.181 ( -4.605 0.000 6.738) 8.162 7.198 ( 7.679 0.000 2.842) 8.188 7.317 ( 1.381 0.000 1.568) 2.089 7.393 ( 6.856 0.000 6.218) 9.256 7.468 ( 7.512 0.000 -0.468) 7.527 7.504 ( -1.937 0.000 -0.535) 2.009 7.618 ( 5.660 0.000 -7.107) 9.086 7.662 ( 2.916 0.000 4.448) 5.319 7.720 ( 5.493 0.000 1.617) 5.726 7.757 ( 2.115 0.000 -0.789) 2.258 7.819 ( -6.217 0.000 5.105) 8.044 7.913 ( -6.946 0.000 -3.808) 7.921 8.068 ( 14.366 0.000 -1.754) 14.472 8.120 ( 2.740 0.000 -0.863) 2.872 8.140 ( 6.580 0.000 12.027) 13.709 8.246 ( 0.932 0.000 -3.145) 3.280 8.292 ( -0.354 0.000 -6.922) 6.931 8.325 ( -0.640 0.000 -1.612) 1.734 8.474 ( -2.963 0.000 -1.475) 3.310 8.502 ( -0.320 0.000 -0.175) 0.365 8.693 ( 5.212 0.000 3.387) 6.216 8.740 ( -8.921 0.000 2.023) 9.147 8.946 ( -0.728 0.000 -3.635) 3.707 8.966 ( -5.716 0.000 -0.898) 5.786 9.000 ( -7.542 0.000 -0.999) 7.608 9.363 ( 2.406 0.000 -5.859) 6.334 9.549 ( 2.582 0.000 4.467) 5.160 9.563 ( 3.785 0.000 6.740) 7.730 9.877 ( 0.228 0.000 -2.679) 2.689 9.943 ( -3.900 0.000 -6.291) 7.401 10.132 ( -38.764 0.000 3.677) 38.938 10.364 ( 4.231 0.000 -3.075) 5.231 10.512 ( -6.852 0.000 5.844) 9.006 10.810 ( 2.197 0.000 4.811) 5.289 10.892 ( 0.490 0.000 -3.639) 3.672 11.101 ( -2.617 0.000 -2.731) 3.782 13.841 ( -1.850 0.000 -0.540) 1.927 13.856 ( 0.957 0.000 -0.487) 1.074 13.944 ( 1.267 0.000 2.931) 3.193 14.137 ( -2.043 0.000 -2.108) 2.936 14.242 ( 4.813 0.000 3.087) 5.718 14.247 ( 2.440 0.000 0.510) 2.493 14.410 ( -0.268 0.000 -4.403) 4.411 14.500 ( -4.007 0.000 -3.853) 5.559 14.572 ( -3.080 0.000 1.500) 3.425 14.644 ( -0.092 0.000 5.749) 5.750 14.729 ( -3.289 0.000 -1.163) 3.489 14.834 ( 2.020 0.000 1.553) 2.548 15.021 ( -3.734 0.000 0.934) 3.849 15.143 ( 5.037 0.000 -2.090) 5.453 15.223 ( 6.377 0.000 -0.186) 6.380 15.234 ( 0.845 0.000 -3.430) 3.533 15.309 ( -2.240 0.000 3.964) 4.553 15.503 ( 0.355 0.000 2.365) 2.391 15.524 ( -2.315 0.000 -2.634) 3.506 15.651 ( 0.734 0.000 -2.677) 2.776 15.693 ( -0.353 0.000 -3.341) 3.360 15.901 ( -2.190 0.000 -4.070) 4.622 16.006 ( 32.783 0.000 -1.672) 32.826 16.159 ( -12.000 0.000 -4.696) 12.887 16.369 ( 4.126 0.000 6.087) 7.354 16.432 ( 12.461 0.000 9.647) 15.759 16.490 ( -11.281 0.000 6.194) 12.870 16.962 ( 34.768 0.000 0.539) 34.772 17.112 ( 2.446 0.000 -4.639) 5.245 17.392 ( -1.527 0.000 -5.164) 5.385 17.739 ( 1.995 0.000 0.721) 2.122 17.796 ( -3.623 0.000 0.025) 3.623 17.827 ( 1.365 0.000 -0.292) 1.396 17.875 ( 0.754 0.000 -1.441) 1.626 18.147 ( -2.067 0.000 1.575) 2.599 18.188 ( 4.760 0.000 -0.467) 4.783 18.282 ( 2.990 0.000 3.793) 4.830 18.318 ( -0.290 0.000 1.644) 1.669 18.537 ( 18.708 0.000 1.775) 18.792 18.668 ( -1.124 0.000 -3.019) 3.221 18.727 ( 1.627 0.000 1.308) 2.087 18.916 ( 0.211 0.000 -1.696) 1.710 19.140 ( 1.345 0.000 0.451) 1.419 19.214 ( -39.213 0.000 -0.953) 39.224 19.456 ( -5.543 0.000 1.203) 5.672 19.553 ( 8.145 0.000 -1.337) 8.254 19.649 ( -5.750 0.000 2.853) 6.419 19.835 ( 2.297 0.000 -2.297) 3.248 20.441 ( 1.590 0.000 -0.369) 1.632 20.492 ( -13.823 0.000 -1.537) 13.908 20.593 ( -2.930 0.000 2.534) 3.874 20.833 ( 6.138 0.000 -4.702) 7.732 21.027 ( 5.089 0.000 4.807) 7.001 21.269 ( 0.936 0.000 -3.262) 3.393 21.411 ( 3.811 0.000 2.038) 4.322 21.488 ( -33.981 0.000 -0.533) 33.986 21.638 ( -2.247 0.000 1.289) 2.591 21.696 ( 1.101 0.000 0.414) 1.176 21.822 ( -0.380 0.000 0.324) 0.499 21.825 ( -0.308 0.000 0.478) 0.569 21.906 ( 24.434 0.000 -1.106) 24.459 21.925 ( -0.225 0.000 -1.303) 1.322 22.122 ( 0.182 0.000 0.617) 0.643 22.175 ( -8.077 0.000 -0.688) 8.107 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 20.051 0.000 20.703) 28.822 1.003 ( 24.372 0.000 20.243) 31.683 1.634 ( 0.108 0.000 8.757) 8.757 1.671 ( 25.637 0.000 41.465) 48.751 1.785 ( -3.229 0.000 -0.773) 3.320 1.949 ( 3.334 0.000 -17.961) 18.268 2.131 ( -0.295 0.000 0.626) 0.692 2.167 ( -1.430 0.000 -2.034) 2.487 2.257 ( 4.316 0.000 5.586) 7.059 2.532 ( 8.674 0.000 2.478) 9.021 2.546 ( 1.724 0.000 4.120) 4.466 2.581 ( -0.719 0.000 4.070) 4.133 2.696 ( 3.430 0.000 -1.182) 3.628 2.798 ( -1.620 0.000 4.469) 4.754 2.918 ( -6.800 0.000 4.674) 8.252 2.981 ( -6.336 0.000 -1.832) 6.595 3.097 ( 0.048 0.000 -7.285) 7.286 3.200 ( 0.443 0.000 3.550) 3.577 3.303 ( -4.763 0.000 -3.797) 6.091 3.350 ( -1.078 0.000 2.832) 3.031 3.476 ( -6.798 0.000 -0.951) 6.864 3.502 ( -6.032 0.000 8.087) 10.089 3.535 ( -5.016 0.000 -3.576) 6.160 3.688 ( 1.336 0.000 -2.393) 2.741 3.741 ( -2.827 0.000 -7.367) 7.891 3.785 ( -0.180 0.000 -7.105) 7.108 3.804 ( 0.700 0.000 -2.634) 2.725 3.873 ( -4.314 0.000 -6.348) 7.675 3.948 ( 9.249 0.000 -10.946) 14.330 4.030 ( -3.361 0.000 1.613) 3.728 4.045 ( 2.791 0.000 -1.364) 3.106 4.201 ( 1.744 0.000 -1.077) 2.050 4.203 ( 7.339 0.000 -6.580) 9.856 4.419 ( -5.345 0.000 -0.283) 5.353 4.471 ( 7.422 0.000 -0.951) 7.483 4.502 ( -1.475 0.000 11.256) 11.352 4.671 ( -2.544 0.000 12.074) 12.339 4.718 ( 9.880 0.000 2.657) 10.231 4.774 ( 3.831 0.000 4.393) 5.829 4.811 ( -4.114 0.000 -2.897) 5.032 4.991 ( -5.237 0.000 -5.813) 7.824 5.011 ( 6.242 0.000 8.045) 10.183 5.093 ( -2.150 0.000 -10.596) 10.812 5.185 ( -0.257 0.000 4.638) 4.645 5.248 ( -4.369 0.000 2.675) 5.123 5.255 ( 4.156 0.000 -6.655) 7.846 5.357 ( 1.819 0.000 0.020) 1.820 5.480 ( -0.661 0.000 -3.952) 4.007 5.496 ( -6.306 0.000 -9.162) 11.122 5.589 ( -10.169 0.000 1.530) 10.283 5.705 ( 5.337 0.000 2.221) 5.781 5.718 ( -6.708 0.000 -4.475) 8.063 5.880 ( -0.401 0.000 -2.834) 2.862 5.883 ( -9.762 0.000 6.338) 11.639 6.052 ( 4.083 0.000 -2.204) 4.640 6.059 ( -2.586 0.000 4.216) 4.946 6.083 ( -0.945 0.000 8.424) 8.477 6.175 ( -1.205 0.000 -4.979) 5.123 6.177 ( -2.028 0.000 -21.377) 21.473 6.338 ( -4.205 0.000 1.801) 4.575 6.408 ( 0.002 0.000 -6.455) 6.455 6.488 ( 0.965 0.000 -2.658) 2.828 6.669 ( 3.507 0.000 -4.845) 5.981 6.684 ( 5.483 0.000 -4.066) 6.826 6.793 ( 1.298 0.000 3.487) 3.721 6.837 ( 5.614 0.000 5.808) 8.078 6.995 ( 0.029 0.000 4.706) 4.706 7.112 ( 3.195 0.000 1.622) 3.584 7.187 ( 0.743 0.000 1.005) 1.250 7.235 ( -1.724 0.000 7.523) 7.718 7.351 ( 0.233 0.000 0.302) 0.382 7.392 ( -4.465 0.000 -6.762) 8.103 7.496 ( -4.575 0.000 -0.548) 4.608 7.522 ( -0.445 0.000 7.615) 7.628 7.627 ( 1.807 0.000 4.215) 4.586 7.684 ( -0.618 0.000 6.805) 6.833 7.710 ( -4.599 0.000 1.703) 4.904 7.715 ( 0.579 0.000 5.434) 5.465 7.824 ( -3.951 0.000 0.506) 3.983 7.828 ( 2.927 0.000 2.339) 3.747 8.055 ( -9.101 0.000 -3.078) 9.608 8.185 ( 3.563 0.000 -1.226) 3.768 8.216 ( -0.462 0.000 0.365) 0.589 8.262 ( 5.586 0.000 -5.678) 7.965 8.403 ( -1.667 0.000 -1.566) 2.287 8.435 ( -6.700 0.000 2.469) 7.141 8.533 ( 9.630 0.000 0.330) 9.636 8.572 ( 11.706 0.000 -2.997) 12.084 8.606 ( 2.058 0.000 0.784) 2.203 8.761 ( -1.698 0.000 -6.013) 6.248 8.913 ( -3.530 0.000 -4.714) 5.889 8.914 ( 1.823 0.000 -3.111) 3.606 8.946 ( 2.439 0.000 3.575) 4.328 9.361 ( 1.540 0.000 5.359) 5.576 9.468 ( -2.369 0.000 -0.419) 2.406 9.707 ( 8.416 0.000 6.187) 10.446 9.828 ( -0.420 0.000 -9.440) 9.450 9.876 ( -0.327 0.000 -3.375) 3.391 10.081 ( 10.392 0.000 -5.374) 11.700 10.481 ( 5.209 0.000 1.744) 5.493 10.551 ( 1.729 0.000 3.572) 3.968 10.838 ( -3.183 0.000 -1.557) 3.544 10.882 ( 3.936 0.000 7.262) 8.260 11.062 ( -0.882 0.000 -5.469) 5.540 13.802 ( -1.327 0.000 -0.604) 1.458 13.851 ( -1.338 0.000 0.362) 1.386 13.987 ( 1.838 0.000 3.975) 4.379 14.083 ( -2.523 0.000 -2.980) 3.904 14.268 ( -1.342 0.000 -0.683) 1.506 14.326 ( 1.715 0.000 1.687) 2.406 14.400 ( -2.412 0.000 -4.354) 4.978 14.402 ( 0.041 0.000 -0.349) 0.352 14.546 ( -0.033 0.000 2.570) 2.570 14.660 ( 2.428 0.000 2.928) 3.804 14.677 ( -1.159 0.000 1.675) 2.036 14.854 ( -0.552 0.000 -0.419) 0.693 14.927 ( -5.626 0.000 -0.576) 5.656 15.215 ( 2.354 0.000 -1.522) 2.804 15.268 ( 3.043 0.000 -1.603) 3.440 15.299 ( 0.534 0.000 4.904) 4.933 15.330 ( 3.366 0.000 -2.376) 4.120 15.433 ( -4.174 0.000 -2.350) 4.790 15.453 ( -2.757 0.000 -1.246) 3.025 15.585 ( -2.960 0.000 2.202) 3.689 15.711 ( 0.348 0.000 1.091) 1.145 15.812 ( -5.341 0.000 -4.854) 7.217 15.908 ( -8.861 0.000 -2.738) 9.274 16.197 ( -10.886 0.000 0.826) 10.918 16.466 ( 9.794 0.000 -4.484) 10.772 16.531 ( 8.127 0.000 8.730) 11.927 16.730 ( 13.070 0.000 6.545) 14.617 17.025 ( -0.777 0.000 -10.337) 10.366 17.269 ( -7.624 0.000 -6.959) 10.323 17.470 ( 7.383 0.000 -9.291) 11.867 17.642 ( -16.248 0.000 20.405) 26.083 17.710 ( -2.915 0.000 -1.317) 3.199 17.851 ( 1.652 0.000 -0.268) 1.674 17.924 ( 1.952 0.000 -2.794) 3.408 18.094 ( -2.833 0.000 0.088) 2.834 18.159 ( -17.964 0.000 17.800) 25.289 18.239 ( -0.558 0.000 3.141) 3.190 18.339 ( 2.173 0.000 0.748) 2.298 18.392 ( -9.050 0.000 11.718) 14.806 18.644 ( -0.504 0.000 -3.454) 3.490 18.733 ( 1.327 0.000 -0.303) 1.362 18.914 ( -0.191 0.000 -2.664) 2.671 19.123 ( -2.778 0.000 2.298) 3.605 19.146 ( 22.610 0.000 -22.441) 31.857 19.442 ( 1.373 0.000 -1.467) 2.009 19.532 ( -3.323 0.000 3.924) 5.142 19.766 ( 8.875 0.000 -0.943) 8.925 19.880 ( 2.237 0.000 -0.031) 2.237 20.172 ( -10.814 0.000 7.079) 12.925 20.334 ( -7.929 0.000 2.132) 8.210 20.564 ( -2.541 0.000 -0.221) 2.551 20.849 ( -3.506 0.000 -0.961) 3.635 21.030 ( -1.415 0.000 3.195) 3.495 21.210 ( -0.174 0.000 1.708) 1.716 21.233 ( -2.890 0.000 -2.363) 3.733 21.423 ( -4.374 0.000 3.838) 5.819 21.674 ( 6.153 0.000 1.434) 6.318 21.719 ( 1.610 0.000 1.085) 1.941 21.797 ( -1.400 0.000 -0.099) 1.403 21.856 ( 2.808 0.000 -1.217) 3.060 21.911 ( -0.641 0.000 -1.302) 1.451 22.060 ( 2.295 0.000 -0.823) 2.439 22.192 ( 5.104 0.000 1.467) 5.311 22.365 ( 9.710 0.000 -9.813) 13.805 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 17.937 0.000 15.968) 24.015 1.508 ( 17.942 0.000 12.704) 21.984 1.603 ( 0.240 0.000 -1.898) 1.913 1.823 ( -0.052 0.000 10.152) 10.152 1.942 ( 3.700 0.000 -13.097) 13.610 2.101 ( 0.103 0.000 -3.283) 3.284 2.140 ( 7.303 0.000 -7.574) 10.522 2.348 ( 14.853 0.000 26.777) 30.621 2.423 ( 4.509 0.000 6.670) 8.051 2.499 ( -4.979 0.000 1.695) 5.260 2.594 ( -9.049 0.000 4.193) 9.974 2.606 ( 2.371 0.000 1.325) 2.716 2.663 ( 0.231 0.000 9.315) 9.318 2.777 ( 2.863 0.000 -7.558) 8.083 2.848 ( 0.468 0.000 2.852) 2.890 2.893 ( -1.254 0.000 1.438) 1.908 3.105 ( -0.498 0.000 -7.114) 7.131 3.177 ( -2.846 0.000 6.452) 7.052 3.246 ( -0.776 0.000 0.389) 0.868 3.305 ( -6.127 0.000 -2.472) 6.607 3.334 ( 0.414 0.000 -2.650) 2.682 3.437 ( -0.457 0.000 -5.638) 5.656 3.450 ( -0.786 0.000 8.639) 8.674 3.587 ( -7.385 0.000 -6.840) 10.066 3.641 ( -8.213 0.000 -6.484) 10.464 3.757 ( 2.003 0.000 -6.900) 7.184 3.813 ( -0.746 0.000 -2.624) 2.728 3.844 ( 0.276 0.000 -3.701) 3.712 3.974 ( -2.522 0.000 5.464) 6.018 4.136 ( 8.967 0.000 -11.780) 14.804 4.150 ( 5.648 0.000 6.475) 8.592 4.252 ( 0.381 0.000 -5.855) 5.867 4.297 ( -6.563 0.000 2.269) 6.945 4.384 ( 9.528 0.000 -5.275) 10.891 4.493 ( -2.646 0.000 -1.245) 2.924 4.501 ( 0.292 0.000 7.122) 7.128 4.602 ( -5.165 0.000 10.292) 11.516 4.792 ( 2.554 0.000 -2.909) 3.871 4.796 ( -5.893 0.000 2.705) 6.485 4.885 ( -2.223 0.000 -0.755) 2.348 4.915 ( 7.415 0.000 2.231) 7.744 5.012 ( -7.264 0.000 -2.940) 7.836 5.052 ( -8.800 0.000 -1.836) 8.990 5.082 ( -0.848 0.000 -4.708) 4.784 5.206 ( 5.590 0.000 4.893) 7.429 5.270 ( 2.556 0.000 -6.390) 6.882 5.363 ( 0.909 0.000 -3.507) 3.623 5.466 ( -2.948 0.000 -2.638) 3.956 5.475 ( 1.819 0.000 4.166) 4.546 5.554 ( 1.405 0.000 1.081) 1.773 5.686 ( 5.570 0.000 -6.242) 8.366 5.756 ( -2.089 0.000 -2.190) 3.026 5.769 ( -1.488 0.000 0.920) 1.749 5.860 ( 2.929 0.000 3.593) 4.635 5.981 ( -6.064 0.000 3.003) 6.766 5.993 ( -5.631 0.000 -5.841) 8.113 6.103 ( -1.443 0.000 -19.747) 19.799 6.116 ( 1.933 0.000 10.962) 11.131 6.219 ( 4.048 0.000 -5.664) 6.962 6.337 ( 4.188 0.000 7.905) 8.946 6.417 ( -4.519 0.000 0.546) 4.551 6.489 ( 7.200 0.000 -4.242) 8.357 6.691 ( -3.365 0.000 -3.580) 4.913 6.779 ( 1.837 0.000 -3.273) 3.754 6.861 ( 6.300 0.000 1.902) 6.581 6.890 ( -0.627 0.000 -0.162) 0.648 6.938 ( -7.390 0.000 8.053) 10.930 7.060 ( -6.445 0.000 -4.397) 7.802 7.220 ( 2.851 0.000 -3.711) 4.679 7.278 ( -0.397 0.000 0.850) 0.938 7.317 ( 3.474 0.000 7.427) 8.200 7.360 ( 2.759 0.000 -8.172) 8.625 7.427 ( -1.940 0.000 -0.356) 1.972 7.468 ( -4.659 0.000 3.289) 5.703 7.643 ( -1.837 0.000 12.542) 12.676 7.653 ( -3.329 0.000 1.259) 3.559 7.725 ( 1.828 0.000 7.502) 7.721 7.758 ( 0.029 0.000 -6.955) 6.955 7.837 ( 6.680 0.000 4.742) 8.192 7.863 ( -1.505 0.000 7.143) 7.300 7.940 ( 0.087 0.000 3.771) 3.772 8.151 ( -4.038 0.000 -5.442) 6.777 8.221 ( -4.503 0.000 8.296) 9.439 8.287 ( -1.800 0.000 -2.189) 2.834 8.313 ( 0.374 0.000 -5.685) 5.697 8.425 ( 0.180 0.000 6.986) 6.989 8.601 ( -4.121 0.000 1.585) 4.416 8.634 ( -5.872 0.000 -4.335) 7.298 8.694 ( 0.057 0.000 -1.994) 1.995 8.713 ( 9.356 0.000 -0.693) 9.382 8.807 ( -2.532 0.000 -8.391) 8.765 9.034 ( 8.501 0.000 -3.578) 9.223 9.060 ( 5.932 0.000 -1.555) 6.132 9.393 ( -0.705 0.000 1.010) 1.232 9.564 ( 8.384 0.000 6.125) 10.383 9.757 ( -2.342 0.000 -13.501) 13.703 9.808 ( -2.313 0.000 -2.850) 3.670 9.965 ( 11.960 0.000 3.253) 12.394 10.249 ( 4.712 0.000 -1.165) 4.854 10.440 ( -9.367 0.000 -1.724) 9.524 10.560 ( -0.141 0.000 -1.547) 1.553 10.862 ( 2.525 0.000 3.252) 4.118 10.993 ( 4.933 0.000 8.787) 10.077 11.041 ( 1.256 0.000 -3.760) 3.964 13.788 ( 0.102 0.000 -0.821) 0.827 13.811 ( -2.167 0.000 0.596) 2.248 14.003 ( -1.453 0.000 1.697) 2.234 14.027 ( -1.994 0.000 -3.124) 3.706 14.215 ( -1.271 0.000 -1.288) 1.810 14.330 ( -0.143 0.000 -3.081) 3.085 14.407 ( -0.169 0.000 3.480) 3.484 14.410 ( 2.159 0.000 -0.110) 2.162 14.567 ( 1.849 0.000 4.554) 4.915 14.677 ( 0.781 0.000 0.650) 1.016 14.743 ( -0.837 0.000 0.961) 1.274 14.816 ( -2.618 0.000 -1.183) 2.873 14.818 ( 0.381 0.000 0.709) 0.805 15.243 ( 0.405 0.000 -3.092) 3.119 15.263 ( -3.937 0.000 -1.852) 4.351 15.313 ( -0.782 0.000 -3.831) 3.910 15.360 ( -0.155 0.000 -2.539) 2.544 15.385 ( 3.032 0.000 1.888) 3.572 15.473 ( 3.244 0.000 1.554) 3.597 15.555 ( -0.720 0.000 5.790) 5.835 15.685 ( -4.309 0.000 -4.279) 6.072 15.719 ( 0.625 0.000 1.282) 1.426 15.783 ( -4.070 0.000 -0.174) 4.074 15.948 ( -11.559 0.000 0.137) 11.560 16.580 ( 1.059 0.000 -5.625) 5.723 16.672 ( 2.027 0.000 2.960) 3.588 16.935 ( 4.055 0.000 2.785) 4.919 17.044 ( 3.745 0.000 -4.099) 5.552 17.182 ( 3.322 0.000 -0.800) 3.417 17.343 ( -11.151 0.000 25.857) 28.159 17.499 ( -1.604 0.000 -4.099) 4.401 17.639 ( -4.428 0.000 -1.096) 4.561 17.874 ( -0.103 0.000 0.538) 0.547 17.942 ( 1.509 0.000 -3.040) 3.394 17.982 ( -2.879 0.000 3.278) 4.363 18.044 ( -1.733 0.000 -1.306) 2.171 18.238 ( -0.574 0.000 1.799) 1.888 18.359 ( -0.155 0.000 6.675) 6.677 18.400 ( 2.926 0.000 -1.178) 3.154 18.639 ( 0.685 0.000 -2.136) 2.243 18.755 ( 0.681 0.000 -0.321) 0.753 18.898 ( -0.748 0.000 -3.828) 3.900 19.054 ( -3.766 0.000 3.653) 5.247 19.334 ( 1.890 0.000 -8.536) 8.743 19.501 ( -0.754 0.000 2.785) 2.886 19.545 ( 7.766 0.000 -9.823) 12.522 19.886 ( 1.736 0.000 -1.435) 2.252 19.921 ( 0.738 0.000 2.051) 2.180 20.048 ( -2.192 0.000 2.839) 3.587 20.237 ( -0.496 0.000 4.331) 4.359 20.466 ( -5.612 0.000 -1.349) 5.772 20.744 ( -5.047 0.000 0.378) 5.061 21.066 ( 2.803 0.000 0.613) 2.869 21.182 ( -1.165 0.000 -1.447) 1.858 21.195 ( -1.540 0.000 0.441) 1.602 21.313 ( -5.366 0.000 1.784) 5.654 21.755 ( 0.993 0.000 0.406) 1.073 21.786 ( 0.616 0.000 0.958) 1.139 21.806 ( 4.110 0.000 1.772) 4.476 21.884 ( 0.246 0.000 -0.531) 0.585 21.929 ( 2.446 0.000 -1.457) 2.847 22.117 ( 2.552 0.000 -1.544) 2.983 22.293 ( 3.457 0.000 1.858) 3.925 22.463 ( 2.622 0.000 -5.318) 5.930 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -11.046 0.000 9.234) 14.397 1.570 ( -13.477 0.000 -4.045) 14.071 1.656 ( 4.090 0.000 1.731) 4.441 1.927 ( 12.764 0.000 4.449) 13.517 2.103 ( 10.109 0.000 1.774) 10.264 2.148 ( -2.943 0.000 12.290) 12.637 2.170 ( -1.119 0.000 -7.386) 7.471 2.345 ( -0.847 0.000 0.820) 1.179 2.432 ( 4.381 0.000 0.743) 4.443 2.482 ( -3.726 0.000 3.694) 5.247 2.529 ( -14.068 0.000 9.992) 17.256 2.643 ( 0.968 0.000 1.358) 1.667 2.661 ( -4.192 0.000 6.955) 8.121 2.804 ( 3.859 0.000 2.931) 4.846 2.890 ( 2.421 0.000 0.895) 2.581 2.898 ( -0.069 0.000 2.837) 2.838 3.069 ( -1.195 0.000 -10.874) 10.940 3.135 ( -1.733 0.000 2.661) 3.176 3.210 ( -4.539 0.000 6.275) 7.745 3.303 ( 5.843 0.000 1.690) 6.082 3.397 ( 5.359 0.000 -7.035) 8.844 3.484 ( -1.094 0.000 -2.677) 2.892 3.494 ( 6.198 0.000 -6.994) 9.345 3.512 ( 4.655 0.000 3.828) 6.027 3.531 ( 4.821 0.000 0.153) 4.823 3.752 ( -5.176 0.000 -0.898) 5.253 3.808 ( 2.560 0.000 -13.652) 13.890 3.818 ( 0.044 0.000 -4.044) 4.044 3.931 ( -4.105 0.000 3.470) 5.376 4.096 ( -8.626 0.000 10.336) 13.462 4.118 ( -8.061 0.000 -4.392) 9.180 4.238 ( 1.876 0.000 -7.719) 7.943 4.301 ( 2.923 0.000 -3.156) 4.302 4.470 ( -2.239 0.000 -1.624) 2.766 4.477 ( -3.183 0.000 -2.589) 4.103 4.507 ( -0.281 0.000 4.171) 4.180 4.576 ( 4.295 0.000 4.608) 6.299 4.631 ( -3.155 0.000 4.707) 5.666 4.813 ( -5.233 0.000 1.312) 5.395 4.906 ( 6.700 0.000 -0.886) 6.759 4.926 ( -2.272 0.000 -3.200) 3.925 4.980 ( 2.207 0.000 -5.386) 5.821 5.022 ( 2.516 0.000 2.035) 3.236 5.106 ( 5.500 0.000 3.583) 6.564 5.231 ( -2.459 0.000 1.835) 3.068 5.302 ( -0.829 0.000 -1.942) 2.112 5.400 ( -0.030 0.000 -10.848) 10.848 5.429 ( 1.640 0.000 -1.295) 2.090 5.541 ( 3.846 0.000 6.189) 7.287 5.560 ( -2.047 0.000 3.720) 4.246 5.701 ( -3.227 0.000 -1.676) 3.636 5.748 ( 3.234 0.000 -4.349) 5.420 5.822 ( 2.924 0.000 -12.959) 13.285 5.880 ( -3.030 0.000 3.822) 4.877 5.919 ( 1.103 0.000 1.160) 1.600 5.999 ( 7.937 0.000 4.514) 9.131 6.106 ( 6.156 0.000 -17.075) 18.151 6.171 ( 1.531 0.000 9.331) 9.455 6.278 ( -5.009 0.000 3.356) 6.029 6.286 ( 3.295 0.000 -2.785) 4.314 6.531 ( 7.724 0.000 13.433) 15.496 6.547 ( -8.952 0.000 6.669) 11.163 6.613 ( 3.572 0.000 -4.991) 6.138 6.800 ( -6.337 0.000 -2.524) 6.821 6.812 ( 1.654 0.000 -3.552) 3.918 6.844 ( -1.308 0.000 -0.652) 1.461 6.853 ( -5.801 0.000 -7.285) 9.312 7.044 ( 4.060 0.000 1.930) 4.495 7.197 ( -2.444 0.000 -4.899) 5.475 7.294 ( 0.948 0.000 6.531) 6.600 7.361 ( -3.931 0.000 -3.265) 5.110 7.363 ( -0.777 0.000 0.486) 0.917 7.437 ( 3.793 0.000 -3.496) 5.158 7.476 ( 6.910 0.000 -6.502) 9.489 7.568 ( -3.825 0.000 3.790) 5.384 7.651 ( -7.112 0.000 -10.050) 12.312 7.686 ( 1.936 0.000 11.909) 12.065 7.739 ( -1.056 0.000 4.140) 4.272 7.846 ( -2.702 0.000 7.134) 7.628 7.939 ( -3.643 0.000 5.282) 6.416 7.981 ( 3.625 0.000 2.199) 4.240 8.017 ( -7.071 0.000 2.045) 7.361 8.163 ( 1.643 0.000 9.408) 9.550 8.300 ( 3.841 0.000 -5.305) 6.549 8.356 ( -6.582 0.000 10.820) 12.665 8.377 ( 3.630 0.000 -0.816) 3.720 8.507 ( -4.031 0.000 -4.984) 6.410 8.553 ( -0.395 0.000 -5.409) 5.424 8.650 ( -2.455 0.000 -1.220) 2.741 8.745 ( -0.867 0.000 0.271) 0.908 8.950 ( 10.524 0.000 -6.387) 12.310 9.117 ( -0.178 0.000 -7.851) 7.853 9.200 ( 5.965 0.000 1.861) 6.249 9.378 ( -0.830 0.000 1.594) 1.798 9.573 ( -5.257 0.000 -1.143) 5.380 9.756 ( -1.006 0.000 -4.250) 4.368 9.863 ( 10.680 0.000 -3.037) 11.104 10.138 ( -10.003 0.000 -2.342) 10.274 10.250 ( -4.348 0.000 3.366) 5.498 10.273 ( 7.843 0.000 2.003) 8.094 10.592 ( 3.793 0.000 -2.629) 4.616 10.797 ( -6.431 0.000 -5.172) 8.253 11.120 ( 5.668 0.000 10.579) 12.002 11.135 ( 4.737 0.000 4.059) 6.238 13.778 ( -0.770 0.000 0.060) 0.772 13.796 ( 0.415 0.000 -0.757) 0.863 13.958 ( -1.759 0.000 -0.749) 1.912 14.001 ( 0.292 0.000 -2.675) 2.691 14.214 ( 0.342 0.000 0.158) 0.377 14.322 ( -0.564 0.000 -2.972) 3.025 14.410 ( 0.144 0.000 2.694) 2.698 14.461 ( 2.385 0.000 2.840) 3.709 14.602 ( -2.035 0.000 4.482) 4.923 14.693 ( 3.019 0.000 0.390) 3.044 14.704 ( 1.687 0.000 -2.586) 3.087 14.752 ( -3.157 0.000 -0.601) 3.214 14.867 ( -1.091 0.000 1.634) 1.965 15.200 ( -3.385 0.000 -4.017) 5.253 15.228 ( 1.391 0.000 0.423) 1.454 15.264 ( -1.663 0.000 -6.675) 6.879 15.375 ( -0.488 0.000 -0.519) 0.712 15.430 ( 0.916 0.000 1.504) 1.761 15.520 ( -0.734 0.000 0.730) 1.035 15.564 ( 0.617 0.000 5.163) 5.200 15.667 ( 3.782 0.000 0.332) 3.796 15.736 ( 0.542 0.000 0.342) 0.641 15.742 ( -4.176 0.000 -0.874) 4.267 15.762 ( 0.294 0.000 -0.454) 0.541 16.521 ( -4.213 0.000 -6.865) 8.055 16.594 ( -6.935 0.000 -6.093) 9.231 17.016 ( 2.509 0.000 6.034) 6.535 17.063 ( -4.403 0.000 13.989) 14.666 17.242 ( -2.344 0.000 -0.122) 2.347 17.326 ( 5.395 0.000 2.784) 6.071 17.421 ( -4.340 0.000 -1.318) 4.535 17.589 ( 2.780 0.000 1.179) 3.020 17.844 ( -1.983 0.000 -1.436) 2.449 17.979 ( 1.269 0.000 0.718) 1.458 17.991 ( 0.885 0.000 -1.131) 1.436 18.032 ( 3.227 0.000 -0.876) 3.343 18.226 ( -0.718 0.000 1.980) 2.106 18.377 ( 0.456 0.000 7.345) 7.359 18.429 ( -0.043 0.000 -3.061) 3.061 18.669 ( 1.990 0.000 0.297) 2.012 18.757 ( -0.398 0.000 -0.930) 1.012 18.874 ( -0.352 0.000 -5.145) 5.157 18.993 ( -2.373 0.000 3.267) 4.038 19.338 ( 0.550 0.000 -4.648) 4.681 19.479 ( -2.179 0.000 0.409) 2.217 19.661 ( 4.856 0.000 -7.787) 9.177 19.896 ( 1.567 0.000 0.481) 1.640 19.902 ( -1.896 0.000 1.001) 2.144 20.086 ( 4.155 0.000 4.590) 6.191 20.214 ( -5.160 0.000 -0.655) 5.201 20.439 ( 4.812 0.000 3.117) 5.734 20.657 ( -2.961 0.000 -2.263) 3.727 21.112 ( 0.176 0.000 0.598) 0.623 21.181 ( 1.703 0.000 1.322) 2.156 21.185 ( 1.656 0.000 -1.266) 2.085 21.225 ( -2.937 0.000 0.429) 2.968 21.760 ( -0.251 0.000 0.039) 0.254 21.809 ( -2.258 0.000 -1.753) 2.859 21.810 ( 0.744 0.000 2.090) 2.218 21.921 ( 1.489 0.000 2.302) 2.741 21.962 ( 0.713 0.000 -0.817) 1.084 22.137 ( -0.653 0.000 -2.566) 2.648 22.328 ( -0.509 0.000 1.483) 1.568 22.499 ( 1.901 0.000 -2.908) 3.474 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -20.378 0.000 8.007) 21.894 1.143 ( -23.432 0.000 2.251) 23.540 1.763 ( 3.366 0.000 11.652) 12.129 1.927 ( -10.844 0.000 9.342) 14.313 1.972 ( -29.070 0.000 8.874) 30.394 2.143 ( -2.009 0.000 -4.431) 4.866 2.241 ( 9.247 0.000 -3.847) 10.015 2.255 ( -3.597 0.000 1.216) 3.797 2.382 ( 1.110 0.000 3.262) 3.445 2.418 ( -3.008 0.000 12.076) 12.445 2.527 ( -3.361 0.000 1.932) 3.877 2.596 ( 5.385 0.000 -6.603) 8.520 2.652 ( -0.496 0.000 2.924) 2.966 2.847 ( 0.935 0.000 5.614) 5.691 2.917 ( 3.383 0.000 0.762) 3.468 2.941 ( 2.407 0.000 1.158) 2.671 3.067 ( -0.621 0.000 -4.104) 4.151 3.115 ( -0.157 0.000 0.493) 0.517 3.200 ( 4.596 0.000 3.952) 6.062 3.366 ( 1.520 0.000 5.109) 5.331 3.454 ( -0.390 0.000 -4.360) 4.377 3.577 ( 7.811 0.000 -7.927) 11.129 3.583 ( -6.441 0.000 -8.207) 10.433 3.644 ( 3.003 0.000 -4.602) 5.495 3.690 ( 9.940 0.000 3.717) 10.612 3.720 ( 7.957 0.000 4.017) 8.913 3.748 ( -5.405 0.000 -5.887) 7.992 3.815 ( -0.203 0.000 2.561) 2.570 3.872 ( 3.811 0.000 -2.346) 4.475 3.979 ( -4.383 0.000 -11.809) 12.596 4.022 ( 1.509 0.000 5.119) 5.337 4.239 ( 0.048 0.000 -2.771) 2.771 4.269 ( -2.604 0.000 -8.367) 8.763 4.426 ( -4.581 0.000 6.486) 7.941 4.471 ( 2.235 0.000 -1.446) 2.662 4.551 ( -0.578 0.000 11.358) 11.373 4.553 ( 3.779 0.000 -2.948) 4.793 4.666 ( -4.817 0.000 -3.197) 5.781 4.667 ( -1.788 0.000 -7.924) 8.123 4.908 ( -1.808 0.000 2.625) 3.187 4.995 ( 2.433 0.000 -2.320) 3.362 5.088 ( 4.879 0.000 1.158) 5.014 5.088 ( 2.811 0.000 5.291) 5.992 5.178 ( -1.392 0.000 4.519) 4.728 5.250 ( -1.399 0.000 -9.087) 9.194 5.269 ( 8.838 0.000 6.920) 11.224 5.276 ( -8.262 0.000 -7.248) 10.990 5.488 ( -4.309 0.000 2.701) 5.086 5.516 ( 5.229 0.000 -1.131) 5.350 5.630 ( 1.098 0.000 1.050) 1.519 5.688 ( 3.392 0.000 -1.806) 3.843 5.763 ( -0.162 0.000 3.002) 3.007 5.829 ( -0.004 0.000 0.294) 0.294 5.850 ( -1.012 0.000 -1.464) 1.780 5.990 ( 4.805 0.000 -12.935) 13.798 6.064 ( -2.218 0.000 7.316) 7.645 6.234 ( 1.977 0.000 10.350) 10.537 6.263 ( 6.733 0.000 -6.831) 9.591 6.328 ( 10.027 0.000 -9.082) 13.529 6.331 ( -0.593 0.000 -0.118) 0.604 6.414 ( -2.579 0.000 5.924) 6.461 6.590 ( -11.868 0.000 -15.704) 19.684 6.653 ( 2.821 0.000 -2.668) 3.883 6.660 ( -4.546 0.000 -1.713) 4.858 6.676 ( 3.187 0.000 14.260) 14.612 6.876 ( 3.491 0.000 -4.310) 5.547 6.948 ( 6.980 0.000 -1.658) 7.174 7.066 ( -2.016 0.000 -6.551) 6.855 7.181 ( -0.260 0.000 9.566) 9.570 7.218 ( -10.212 0.000 2.515) 10.517 7.318 ( 0.996 0.000 -1.904) 2.148 7.346 ( -2.098 0.000 -1.946) 2.861 7.458 ( -1.492 0.000 1.059) 1.829 7.515 ( -3.158 0.000 9.600) 10.106 7.563 ( 2.881 0.000 1.491) 3.244 7.597 ( 5.723 0.000 -6.169) 8.415 7.690 ( -4.249 0.000 5.545) 6.985 7.716 ( -4.187 0.000 -1.503) 4.449 7.804 ( 0.689 0.000 0.011) 0.690 7.874 ( 0.812 0.000 6.378) 6.429 7.888 ( -2.124 0.000 6.502) 6.841 8.038 ( 0.067 0.000 -4.259) 4.260 8.226 ( -7.029 0.000 9.695) 11.975 8.268 ( 4.274 0.000 4.599) 6.279 8.344 ( -2.450 0.000 -4.793) 5.383 8.401 ( -0.730 0.000 -2.937) 3.026 8.441 ( 1.466 0.000 -4.788) 5.007 8.555 ( 0.129 0.000 -4.377) 4.379 8.671 ( 4.620 0.000 -1.220) 4.779 8.753 ( 1.466 0.000 0.283) 1.493 9.013 ( -7.109 0.000 -7.107) 10.052 9.115 ( 5.201 0.000 -4.412) 6.820 9.289 ( 1.186 0.000 7.101) 7.199 9.360 ( -1.924 0.000 8.198) 8.421 9.478 ( -2.055 0.000 -6.355) 6.679 9.678 ( -8.827 0.000 -4.709) 10.005 9.924 ( -3.588 0.000 -2.723) 4.504 10.030 ( 1.873 0.000 1.135) 2.190 10.171 ( 0.832 0.000 1.674) 1.869 10.403 ( -0.714 0.000 -3.807) 3.873 10.680 ( 4.118 0.000 0.330) 4.131 10.711 ( 2.503 0.000 -3.050) 3.945 11.194 ( 0.319 0.000 2.239) 2.262 11.266 ( 5.864 0.000 7.748) 9.717 13.783 ( 1.257 0.000 -0.751) 1.464 13.801 ( 0.508 0.000 0.305) 0.592 13.938 ( -0.493 0.000 -1.099) 1.205 14.033 ( 3.010 0.000 -1.675) 3.445 14.214 ( -0.255 0.000 -0.154) 0.298 14.279 ( -2.912 0.000 -2.308) 3.716 14.423 ( 0.528 0.000 0.238) 0.579 14.519 ( 2.347 0.000 3.972) 4.614 14.578 ( 0.043 0.000 5.631) 5.632 14.683 ( -2.918 0.000 -1.548) 3.303 14.732 ( 1.312 0.000 -2.882) 3.167 14.761 ( -2.949 0.000 -2.010) 3.569 14.854 ( 5.604 0.000 5.719) 8.007 15.122 ( -3.457 0.000 -2.201) 4.098 15.202 ( -2.908 0.000 -6.172) 6.823 15.238 ( -2.082 0.000 -0.826) 2.240 15.328 ( -2.825 0.000 -0.454) 2.861 15.431 ( -3.109 0.000 -0.491) 3.148 15.495 ( 1.961 0.000 3.090) 3.660 15.597 ( 1.229 0.000 3.917) 4.105 15.671 ( -0.773 0.000 -0.698) 1.041 15.799 ( 4.397 0.000 0.427) 4.418 15.817 ( 2.653 0.000 -7.822) 8.260 15.830 ( 10.502 0.000 4.271) 11.337 16.427 ( -2.891 0.000 -0.980) 3.053 16.431 ( -6.868 0.000 -4.890) 8.431 16.897 ( -13.842 0.000 -0.120) 13.843 16.947 ( -8.528 0.000 10.918) 13.853 17.248 ( 4.565 0.000 1.712) 4.876 17.281 ( -5.614 0.000 -0.715) 5.659 17.514 ( 8.150 0.000 0.670) 8.178 17.699 ( 4.819 0.000 2.353) 5.363 17.806 ( -1.040 0.000 -3.020) 3.194 17.983 ( -0.431 0.000 -0.474) 0.641 18.017 ( 2.019 0.000 1.463) 2.493 18.134 ( 3.986 0.000 2.066) 4.490 18.220 ( -0.189 0.000 2.876) 2.882 18.397 ( 0.121 0.000 7.015) 7.016 18.397 ( -2.278 0.000 -1.316) 2.631 18.698 ( 0.340 0.000 0.988) 1.045 18.739 ( -0.946 0.000 -1.082) 1.437 18.888 ( 2.640 0.000 -6.038) 6.590 18.973 ( 0.611 0.000 0.595) 0.853 19.352 ( 1.542 0.000 -4.166) 4.443 19.424 ( -2.093 0.000 -0.768) 2.230 19.734 ( 3.335 0.000 -5.469) 6.406 19.860 ( -2.375 0.000 -1.196) 2.659 19.928 ( -2.243 0.000 0.722) 2.356 20.136 ( 2.209 0.000 -1.095) 2.466 20.217 ( 7.301 0.000 9.552) 12.022 20.574 ( 5.564 0.000 4.002) 6.854 20.618 ( 0.074 0.000 -5.117) 5.117 21.084 ( -2.184 0.000 1.228) 2.505 21.192 ( 0.195 0.000 -1.875) 1.885 21.245 ( 3.715 0.000 -0.754) 3.791 21.271 ( 5.663 0.000 3.376) 6.593 21.745 ( -3.210 0.000 -0.591) 3.264 21.749 ( -0.880 0.000 1.120) 1.424 21.816 ( -0.364 0.000 1.487) 1.531 21.920 ( -1.650 0.000 -1.306) 2.104 21.959 ( -0.933 0.000 2.117) 2.314 22.080 ( -4.129 0.000 -3.354) 5.320 22.280 ( -3.987 0.000 1.049) 4.122 22.528 ( 0.976 0.000 -4.014) 4.130 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -19.437 0.000 15.266) 24.716 0.709 ( -18.985 0.000 16.558) 25.191 1.327 ( -29.050 0.000 34.893) 45.403 1.663 ( -8.300 0.000 4.342) 9.367 1.926 ( 3.611 0.000 17.964) 18.323 2.057 ( -4.646 0.000 -10.029) 11.053 2.224 ( 1.404 0.000 -8.198) 8.317 2.253 ( -7.063 0.000 1.239) 7.171 2.384 ( 1.884 0.000 4.590) 4.962 2.436 ( -0.969 0.000 6.143) 6.219 2.486 ( -0.462 0.000 9.860) 9.871 2.616 ( -2.907 0.000 -10.473) 10.869 2.618 ( -3.617 0.000 3.611) 5.111 2.912 ( -0.942 0.000 5.997) 6.070 2.966 ( 1.223 0.000 7.472) 7.571 3.037 ( 6.546 0.000 -2.628) 7.054 3.051 ( 2.419 0.000 -4.440) 5.056 3.124 ( 0.121 0.000 1.536) 1.541 3.344 ( 7.031 0.000 3.209) 7.729 3.418 ( -5.230 0.000 -0.926) 5.312 3.443 ( 3.491 0.000 -10.008) 10.599 3.462 ( 6.526 0.000 -0.446) 6.541 3.627 ( -3.355 0.000 -1.824) 3.819 3.628 ( -1.136 0.000 -1.931) 2.241 3.696 ( 4.244 0.000 -10.299) 11.140 3.814 ( 2.521 0.000 4.246) 4.938 3.870 ( -3.071 0.000 -14.068) 14.399 3.904 ( 7.413 0.000 3.258) 8.097 3.915 ( -1.275 0.000 -4.953) 5.114 3.971 ( 7.984 0.000 -0.228) 7.988 4.115 ( 2.086 0.000 -1.730) 2.710 4.216 ( -2.487 0.000 -5.777) 6.290 4.270 ( 4.576 0.000 3.993) 6.073 4.365 ( 1.422 0.000 -1.597) 2.139 4.391 ( -6.715 0.000 3.165) 7.423 4.473 ( -7.788 0.000 -1.720) 7.975 4.628 ( 3.657 0.000 -9.683) 10.350 4.643 ( 0.095 0.000 3.299) 3.300 4.772 ( 11.135 0.000 -5.935) 12.618 4.785 ( -7.872 0.000 4.452) 9.044 5.017 ( -8.051 0.000 10.054) 12.880 5.018 ( -0.616 0.000 4.205) 4.250 5.068 ( -2.237 0.000 5.668) 6.094 5.138 ( -3.217 0.000 1.147) 3.415 5.230 ( 0.414 0.000 -4.852) 4.870 5.396 ( 10.732 0.000 -1.973) 10.912 5.411 ( -4.570 0.000 6.705) 8.114 5.438 ( 4.726 0.000 0.983) 4.827 5.552 ( 7.277 0.000 -6.575) 9.807 5.679 ( 4.257 0.000 -1.321) 4.457 5.733 ( -5.320 0.000 -1.344) 5.487 5.773 ( -0.125 0.000 -4.701) 4.703 5.854 ( 3.534 0.000 4.897) 6.039 5.863 ( 7.137 0.000 -5.359) 8.925 6.053 ( 1.603 0.000 -7.511) 7.681 6.095 ( 4.519 0.000 5.172) 6.868 6.181 ( -7.297 0.000 -4.185) 8.412 6.234 ( -8.034 0.000 -10.288) 13.053 6.289 ( -1.428 0.000 9.885) 9.987 6.413 ( 0.235 0.000 -14.090) 14.092 6.465 ( 1.376 0.000 6.487) 6.631 6.475 ( 1.501 0.000 -8.272) 8.407 6.564 ( -2.288 0.000 -9.788) 10.052 6.723 ( 0.149 0.000 10.438) 10.439 6.779 ( 2.628 0.000 4.174) 4.932 6.911 ( -0.481 0.000 1.021) 1.128 6.975 ( -0.390 0.000 -1.421) 1.473 7.043 ( -8.624 0.000 -0.335) 8.630 7.050 ( 1.397 0.000 1.468) 2.026 7.186 ( 5.503 0.000 10.622) 11.963 7.301 ( -0.932 0.000 0.179) 0.949 7.314 ( -3.270 0.000 3.063) 4.480 7.420 ( -4.377 0.000 7.228) 8.450 7.524 ( 3.052 0.000 6.524) 7.203 7.574 ( -1.896 0.000 1.558) 2.454 7.603 ( -2.712 0.000 -2.956) 4.011 7.698 ( 5.678 0.000 1.246) 5.814 7.734 ( 3.199 0.000 -13.599) 13.970 7.833 ( 5.394 0.000 5.987) 8.058 7.890 ( 0.734 0.000 11.614) 11.637 7.970 ( -5.023 0.000 -6.682) 8.359 8.017 ( 7.924 0.000 -0.672) 7.953 8.115 ( -3.922 0.000 10.631) 11.332 8.260 ( -4.405 0.000 -3.665) 5.730 8.289 ( -0.097 0.000 -3.608) 3.609 8.401 ( 1.076 0.000 -5.455) 5.560 8.485 ( 1.855 0.000 -3.790) 4.220 8.586 ( 3.373 0.000 0.317) 3.388 8.643 ( -9.488 0.000 -2.677) 9.859 8.786 ( 1.089 0.000 -1.823) 2.124 8.926 ( 1.696 0.000 -2.207) 2.784 9.119 ( -4.505 0.000 -0.970) 4.608 9.204 ( -10.216 0.000 4.718) 11.252 9.330 ( -0.996 0.000 5.899) 5.982 9.484 ( 2.523 0.000 -2.183) 3.337 9.530 ( -1.747 0.000 1.207) 2.124 9.894 ( -1.028 0.000 -3.071) 3.239 9.985 ( -2.172 0.000 -3.709) 4.298 10.283 ( 5.507 0.000 5.308) 7.649 10.336 ( -1.151 0.000 -6.230) 6.335 10.754 ( 2.682 0.000 2.490) 3.660 10.824 ( 5.783 0.000 -2.444) 6.278 11.167 ( -2.697 0.000 -0.372) 2.722 11.250 ( -15.392 0.000 -19.934) 25.186 13.821 ( 2.168 0.000 -1.045) 2.406 13.839 ( 2.649 0.000 2.166) 3.422 13.921 ( -0.379 0.000 0.287) 0.475 14.114 ( 4.411 0.000 0.009) 4.411 14.207 ( -0.011 0.000 0.574) 0.574 14.212 ( -2.551 0.000 -1.632) 3.029 14.424 ( -0.229 0.000 -2.615) 2.625 14.551 ( -0.538 0.000 0.255) 0.595 14.610 ( 1.236 0.000 5.526) 5.663 14.664 ( -4.676 0.000 2.043) 5.102 14.676 ( 5.207 0.000 4.288) 6.745 14.775 ( 3.422 0.000 2.718) 4.370 15.017 ( 6.548 0.000 4.107) 7.729 15.035 ( -2.070 0.000 -2.245) 3.053 15.159 ( -3.304 0.000 -1.343) 3.566 15.182 ( 2.518 0.000 3.572) 4.370 15.290 ( 0.127 0.000 2.956) 2.958 15.361 ( -2.951 0.000 0.887) 3.081 15.542 ( 0.921 0.000 0.130) 0.930 15.608 ( -0.341 0.000 -0.755) 0.828 15.692 ( 2.075 0.000 3.024) 3.667 15.801 ( -2.489 0.000 -13.628) 13.853 15.891 ( 3.531 0.000 -1.253) 3.746 16.094 ( 12.944 0.000 5.497) 14.063 16.312 ( -3.231 0.000 1.171) 3.436 16.461 ( 6.960 0.000 11.991) 13.865 16.562 ( -16.201 0.000 -1.604) 16.280 16.748 ( -11.254 0.000 6.436) 12.964 17.177 ( -3.920 0.000 -3.298) 5.123 17.356 ( 4.547 0.000 -1.335) 4.739 17.660 ( 5.301 0.000 0.919) 5.380 17.775 ( 2.506 0.000 2.004) 3.209 17.797 ( 0.797 0.000 -1.919) 2.078 17.951 ( -3.359 0.000 -1.205) 3.569 18.074 ( 3.523 0.000 2.426) 4.278 18.173 ( -0.498 0.000 2.864) 2.907 18.231 ( 0.710 0.000 4.350) 4.407 18.343 ( -2.344 0.000 1.487) 2.776 18.411 ( 0.439 0.000 6.287) 6.302 18.693 ( -0.703 0.000 -0.947) 1.179 18.721 ( -0.448 0.000 -0.292) 0.535 18.914 ( 0.414 0.000 -2.003) 2.045 19.056 ( 6.172 0.000 -2.604) 6.699 19.380 ( 1.441 0.000 -4.555) 4.777 19.423 ( 2.956 0.000 -1.415) 3.277 19.755 ( -7.557 0.000 -4.585) 8.839 19.792 ( 1.769 0.000 -4.536) 4.869 19.801 ( -7.805 0.000 1.301) 7.912 20.292 ( 9.701 0.000 -0.527) 9.715 20.448 ( 12.631 0.000 10.157) 16.208 20.643 ( -0.214 0.000 3.528) 3.534 20.649 ( 4.264 0.000 -4.783) 6.407 21.029 ( -3.307 0.000 3.127) 4.552 21.222 ( 2.883 0.000 -3.495) 4.530 21.328 ( 3.992 0.000 -0.487) 4.022 21.445 ( 11.380 0.000 7.271) 13.504 21.686 ( -2.395 0.000 1.616) 2.889 21.729 ( -1.035 0.000 2.139) 2.376 21.810 ( -0.294 0.000 0.083) 0.305 21.863 ( -2.917 0.000 -0.728) 3.007 21.937 ( -1.098 0.000 0.595) 1.248 21.949 ( -8.318 0.000 -5.754) 10.114 22.182 ( -4.862 0.000 0.692) 4.911 22.475 ( -7.314 0.000 -10.880) 13.110 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 8.230 11.054 23.330) 27.096 0.880 ( 3.670 22.778 21.382) 31.457 1.260 ( 1.971 12.766 41.355) 43.325 1.540 ( -0.026 -3.817 5.149) 6.410 1.868 ( -3.321 -3.575 1.558) 5.122 2.012 ( 0.284 -4.103 5.109) 6.559 2.119 ( -0.277 -2.380 11.179) 11.433 2.208 ( -7.739 3.126 -9.370) 12.548 2.306 ( -2.590 4.552 -0.160) 5.240 2.453 ( 3.751 -7.899 0.352) 8.752 2.493 ( 0.830 5.743 -4.521) 7.356 2.631 ( 0.413 4.383 2.182) 4.914 2.677 ( -3.092 9.569 2.088) 10.271 2.864 ( 2.214 1.411 3.368) 4.270 2.939 ( 0.095 -8.491 1.005) 8.551 2.974 ( -4.175 0.483 1.753) 4.554 3.121 ( -1.639 4.033 0.445) 4.376 3.193 ( 1.440 -0.288 1.096) 1.832 3.342 ( 3.358 -2.932 -3.252) 5.518 3.370 ( -0.156 -3.866 1.816) 4.274 3.505 ( 0.897 -2.441 -3.009) 3.977 3.514 ( 1.679 -0.694 -4.678) 5.019 3.626 ( -2.549 2.474 0.462) 3.582 3.691 ( 4.979 -5.181 -2.631) 7.652 3.725 ( 1.179 -0.841 -15.429) 15.497 3.823 ( 1.719 6.482 -0.522) 6.727 3.840 ( -0.456 -2.904 -1.029) 3.114 3.889 ( -1.124 2.977 -3.794) 4.952 3.936 ( 0.828 2.036 3.457) 4.097 4.060 ( -2.846 -3.992 -1.346) 5.084 4.103 ( 0.511 -3.111 -6.327) 7.069 4.154 ( -1.967 -0.874 -0.301) 2.173 4.193 ( -5.823 -1.659 -10.407) 12.041 4.298 ( 3.935 0.321 -1.406) 4.191 4.338 ( -1.137 -10.611 2.991) 11.083 4.469 ( -1.221 -5.341 8.413) 10.040 4.520 ( -0.105 -0.044 -6.321) 6.322 4.623 ( 4.051 0.567 2.076) 4.587 4.762 ( -2.237 2.883 1.353) 3.892 4.839 ( 0.019 -6.636 4.885) 8.240 4.902 ( 3.758 -3.465 1.409) 5.302 5.011 ( 2.673 -2.049 4.953) 5.989 5.131 ( -0.943 -8.472 -8.046) 11.722 5.141 ( -0.614 -3.338 -3.620) 4.962 5.199 ( -1.608 3.517 5.358) 6.608 5.312 ( 0.627 7.731 -2.893) 8.279 5.377 ( -3.856 0.304 -0.828) 3.956 5.492 ( -0.886 -8.435 -1.583) 8.628 5.607 ( 4.458 -8.640 -0.306) 9.727 5.653 ( -1.725 -1.745 -3.159) 4.000 5.658 ( -3.471 -1.277 -7.880) 8.705 5.773 ( 0.611 -2.654 1.940) 3.344 5.898 ( -1.925 -0.772 -1.377) 2.490 5.912 ( -5.028 -3.758 -4.146) 7.523 6.017 ( -1.340 -0.561 1.023) 1.777 6.063 ( 1.268 -3.819 2.065) 4.523 6.121 ( -0.071 -4.590 -4.114) 6.165 6.285 ( -3.230 -5.581 9.094) 11.149 6.295 ( 1.462 -1.558 -1.569) 2.651 6.326 ( 3.237 9.331 1.455) 9.983 6.372 ( -0.188 0.393 -1.914) 1.963 6.443 ( -1.018 -0.796 0.160) 1.302 6.519 ( 7.025 2.977 -9.476) 12.166 6.752 ( -0.174 4.402 2.567) 5.098 6.787 ( -5.541 -0.093 -0.504) 5.565 6.846 ( -5.768 -1.221 -4.264) 7.276 7.019 ( 1.011 0.937 -2.500) 2.855 7.034 ( 1.494 2.835 2.440) 4.028 7.216 ( 3.041 1.955 3.455) 5.000 7.252 ( -2.294 4.343 7.054) 8.596 7.308 ( -0.328 -7.087 1.542) 7.261 7.326 ( -1.453 -0.592 1.987) 2.532 7.397 ( -0.044 -0.995 2.140) 2.361 7.477 ( 5.689 -2.711 1.817) 6.559 7.552 ( 6.127 -8.725 5.602) 12.043 7.622 ( 3.878 1.190 2.074) 4.556 7.709 ( -3.000 -1.312 2.471) 4.102 7.793 ( 2.305 1.423 -7.726) 8.187 7.838 ( -4.067 3.067 3.513) 6.188 7.959 ( -0.272 4.305 -3.825) 5.766 7.980 ( 5.154 4.359 -9.571) 11.711 8.131 ( 1.825 1.350 3.091) 3.835 8.193 ( 2.013 1.463 3.356) 4.178 8.345 ( 5.647 8.792 0.948) 10.492 8.367 ( -2.358 0.610 -2.058) 3.188 8.430 ( 6.438 4.576 -6.612) 10.300 8.483 ( 1.062 5.104 0.492) 5.236 8.553 ( -3.911 3.084 0.876) 5.057 8.710 ( -6.288 -2.516 1.876) 7.028 8.728 ( 6.182 1.835 3.464) 7.320 8.947 ( -0.746 1.096 -3.012) 3.290 9.003 ( -3.033 2.037 -5.181) 6.340 9.093 ( -8.306 7.632 4.003) 11.969 9.369 ( 0.827 -4.974 2.311) 5.547 9.421 ( 2.094 -0.904 6.136) 6.546 9.705 ( -2.289 -5.357 -1.653) 6.056 9.762 ( 0.210 3.756 -0.396) 3.783 9.900 ( -2.197 -3.733 -6.117) 7.496 10.097 ( -16.414 -0.968 6.470) 17.670 10.273 ( 0.725 -5.677 1.315) 5.872 10.623 ( 2.411 8.089 1.071) 8.508 10.819 ( 1.736 0.962 4.154) 4.604 10.894 ( 0.292 0.481 -2.830) 2.886 11.094 ( -2.881 -1.032 -3.069) 4.334 13.877 ( -1.739 3.871 -0.247) 4.250 13.936 ( 2.265 4.548 1.234) 5.228 14.049 ( -1.170 6.347 -5.341) 8.377 14.154 ( -2.958 1.518 -1.538) 3.663 14.239 ( 4.892 -0.091 3.335) 5.922 14.271 ( 2.753 2.239 -0.201) 3.555 14.405 ( -1.360 -0.625 -3.835) 4.117 14.477 ( -3.999 -2.293 -2.669) 5.327 14.570 ( -2.481 -0.292 2.470) 3.513 14.633 ( 0.081 0.069 2.664) 2.666 14.747 ( -0.624 0.687 3.325) 3.452 14.810 ( 2.439 -1.333 2.432) 3.693 15.021 ( -0.087 -0.486 -1.643) 1.716 15.092 ( 2.746 -3.874 1.047) 4.863 15.183 ( 1.898 -4.150 3.986) 6.060 15.230 ( -1.311 0.323 -2.467) 2.812 15.270 ( 4.517 1.904 -0.536) 4.931 15.461 ( -2.065 -3.024 -0.859) 3.761 15.518 ( -0.728 -1.223 -1.478) 2.052 15.616 ( -4.198 -4.109 -4.509) 7.405 15.733 ( -0.073 3.531 -0.176) 3.536 15.858 ( 5.839 1.772 1.528) 6.290 16.091 ( 3.402 1.742 -2.530) 4.584 16.212 ( -3.862 1.941 -6.564) 7.859 16.369 ( 5.990 -0.943 7.683) 9.788 16.426 ( 12.592 0.540 5.605) 13.793 16.510 ( -11.701 2.666 3.916) 12.624 16.994 ( 4.886 -2.146 -5.063) 7.357 17.159 ( 15.870 7.143 -2.443) 17.574 17.427 ( 0.418 3.385 -4.481) 5.631 17.646 ( -3.008 -5.716 4.382) 7.805 17.789 ( -2.473 -2.129 -2.518) 4.122 17.819 ( 0.998 -0.711 0.124) 1.232 17.886 ( 3.793 0.107 -0.908) 3.901 18.085 ( 0.604 -4.602 1.736) 4.956 18.108 ( -1.406 -4.193 2.711) 5.187 18.292 ( 1.565 0.931 3.445) 3.897 18.371 ( -1.477 5.153 2.490) 5.911 18.511 ( 3.006 -1.452 6.487) 7.295 18.676 ( 0.610 0.416 -2.189) 2.310 18.717 ( 0.096 -0.383 0.508) 0.644 18.842 ( -3.566 -3.543 2.676) 5.694 19.153 ( 1.073 1.288 0.589) 1.777 19.264 ( -9.708 1.008 -1.118) 9.824 19.478 ( -2.257 2.572 0.961) 3.554 19.634 ( 1.680 1.645 0.035) 2.351 19.700 ( -3.426 6.746 -6.278) 9.831 19.828 ( 2.167 -0.662 -2.138) 3.115 20.306 ( 0.259 -10.080 5.783) 11.624 20.357 ( -5.166 -7.477 1.878) 9.280 20.620 ( -1.114 2.195 -1.104) 2.698 20.817 ( 2.523 -2.434 -5.246) 6.310 21.127 ( 5.032 4.602 0.042) 6.819 21.234 ( 1.052 -2.798 -0.012) 2.989 21.412 ( 0.739 0.613 0.415) 1.046 21.477 ( -19.144 -1.163 -2.357) 19.324 21.652 ( -2.128 1.357 1.105) 2.755 21.700 ( 1.198 0.775 0.159) 1.436 21.782 ( 0.985 -0.800 2.253) 2.586 21.835 ( 3.050 0.015 1.160) 3.263 21.918 ( 0.175 -0.491 -1.311) 1.411 21.935 ( 7.801 0.264 -2.828) 8.302 22.131 ( 1.853 0.370 -0.289) 1.911 22.162 ( -5.302 -1.146 -0.264) 5.431 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 13.605 2.065 20.099) 24.358 1.173 ( 17.687 14.935 16.137) 28.219 1.513 ( 7.891 -7.715 13.076) 17.111 1.712 ( 1.502 -2.982 -1.840) 3.813 1.751 ( 8.486 2.432 25.137) 26.642 2.043 ( -3.529 6.409 -9.337) 11.862 2.100 ( 4.045 -5.050 11.085) 12.836 2.145 ( -1.423 -4.088 3.622) 5.644 2.298 ( 8.379 9.289 -8.114) 14.910 2.508 ( 0.796 -3.738 7.104) 8.067 2.567 ( -3.237 2.580 4.590) 6.181 2.615 ( 6.297 5.248 -3.027) 8.738 2.700 ( 0.203 1.124 1.683) 2.034 2.869 ( -1.881 -0.671 -6.688) 6.980 2.894 ( -3.859 3.483 2.771) 5.891 2.966 ( -0.500 -2.408 5.751) 6.255 3.024 ( -2.760 -1.965 0.919) 3.511 3.172 ( -3.278 -5.925 4.630) 8.203 3.301 ( -2.309 2.522 -2.309) 4.126 3.363 ( -3.853 -0.797 -4.506) 5.982 3.436 ( -4.717 -1.905 2.058) 5.488 3.488 ( -5.850 0.695 -2.837) 6.539 3.557 ( -0.258 -1.591 -1.267) 2.050 3.708 ( -2.640 2.635 -4.345) 5.726 3.736 ( -1.862 -2.016 -5.605) 6.241 3.780 ( -1.220 2.929 -7.513) 8.155 3.844 ( 1.096 -0.574 -2.214) 2.536 3.939 ( -1.607 7.757 -3.438) 8.636 4.012 ( -1.530 -0.373 -2.021) 2.562 4.023 ( 0.547 1.962 -2.194) 2.994 4.036 ( 5.354 -1.630 -1.365) 5.761 4.081 ( -0.931 -9.639 -2.610) 10.030 4.174 ( 5.195 -4.573 -0.435) 6.935 4.350 ( 1.686 -1.884 -2.139) 3.312 4.427 ( -1.714 -3.875 3.828) 5.711 4.441 ( 4.532 -3.208 1.547) 5.764 4.577 ( 8.666 -6.991 0.748) 11.159 4.667 ( 1.788 -1.747 2.294) 3.393 4.812 ( 1.780 4.085 4.949) 6.660 4.848 ( -1.767 -5.864 -2.298) 6.541 4.927 ( -1.643 -1.728 -0.860) 2.535 5.005 ( -2.844 -2.613 3.640) 5.307 5.075 ( -1.146 -4.114 0.050) 4.271 5.165 ( 0.294 -0.065 3.071) 3.086 5.232 ( 2.068 -2.524 -9.607) 10.146 5.297 ( 0.646 -1.736 -4.255) 4.641 5.403 ( 2.917 3.314 3.969) 5.937 5.438 ( -1.981 0.193 -0.642) 2.092 5.524 ( -2.449 0.739 -6.174) 6.683 5.590 ( -5.563 0.381 -1.708) 5.831 5.667 ( -0.993 -4.992 2.463) 5.654 5.764 ( 0.679 -2.854 -4.927) 5.734 5.833 ( -3.231 5.518 -0.921) 6.460 5.913 ( 0.919 -3.756 4.912) 6.252 5.975 ( 1.272 -2.129 -1.252) 2.778 6.011 ( -5.809 0.375 1.442) 5.997 6.117 ( -2.377 1.573 5.259) 5.982 6.184 ( -1.018 -2.722 4.053) 4.987 6.205 ( -2.093 1.491 -11.657) 11.937 6.363 ( -1.495 -1.556 -5.040) 5.483 6.372 ( -1.452 -0.578 -1.831) 2.408 6.524 ( 3.788 -2.429 -3.875) 5.938 6.562 ( -3.665 -1.678 -2.753) 4.881 6.664 ( -2.383 -0.686 -5.278) 5.831 6.748 ( 0.121 0.401 -3.320) 3.347 6.888 ( 7.204 -1.073 10.149) 12.492 7.000 ( -0.660 -3.637 -3.170) 4.869 7.048 ( -0.023 0.054 3.448) 3.448 7.176 ( -2.120 -5.066 -1.095) 5.600 7.201 ( -7.140 -5.962 2.990) 9.771 7.305 ( 0.418 -1.865 1.294) 2.308 7.362 ( 2.689 -1.874 1.096) 3.456 7.411 ( -2.635 -0.452 2.277) 3.512 7.547 ( 0.912 3.359 1.848) 3.941 7.572 ( -0.871 -4.053 3.784) 5.613 7.618 ( -2.509 -0.307 11.505) 11.780 7.635 ( 0.722 -9.334 0.647) 9.384 7.846 ( 1.046 2.454 -0.052) 2.668 7.899 ( 0.793 7.231 -2.788) 7.790 7.975 ( 1.203 14.441 4.748) 15.249 8.046 ( 2.685 -0.809 -11.687) 12.019 8.146 ( 0.399 2.419 6.273) 6.735 8.283 ( -0.196 4.716 0.832) 4.793 8.321 ( 6.153 1.430 -6.715) 9.219 8.392 ( -2.972 0.400 -1.381) 3.301 8.443 ( -5.173 2.770 2.290) 6.299 8.544 ( 5.811 2.830 0.851) 6.520 8.581 ( -3.446 0.312 1.589) 3.808 8.674 ( 8.361 2.205 -0.864) 8.690 8.785 ( -2.016 0.798 0.672) 2.270 8.894 ( -3.643 -0.558 -1.389) 3.938 8.972 ( 1.642 5.357 -7.394) 9.277 9.082 ( 4.602 11.476 2.129) 12.546 9.397 ( -0.151 1.448 5.672) 5.856 9.404 ( 4.095 -4.208 1.488) 6.058 9.686 ( 1.843 -8.325 0.618) 8.549 9.811 ( -0.771 -1.942 -9.066) 9.303 9.901 ( 3.832 9.469 -0.842) 10.249 10.076 ( 10.215 -1.970 -3.459) 10.964 10.387 ( 4.814 -5.078 2.851) 7.555 10.667 ( 0.998 7.662 2.138) 8.017 10.839 ( -2.319 -0.349 -1.019) 2.557 10.867 ( 0.729 -0.365 6.257) 6.309 11.054 ( -0.529 -1.139 -5.135) 5.286 13.843 ( -1.225 4.667 -0.013) 4.825 13.948 ( -2.342 6.039 -2.239) 6.853 14.012 ( -0.378 2.632 3.292) 4.232 14.100 ( -1.882 1.725 -2.111) 3.313 14.276 ( -2.168 0.499 -0.477) 2.275 14.322 ( 0.741 -0.409 1.517) 1.737 14.393 ( 0.573 -0.569 -2.640) 2.761 14.403 ( -0.579 0.131 -1.249) 1.383 14.535 ( -0.796 -0.236 2.212) 2.363 14.653 ( 2.298 -0.450 1.178) 2.621 14.717 ( -1.706 2.891 3.151) 4.604 14.834 ( -1.174 -1.245 1.170) 2.073 14.966 ( -3.476 2.700 -2.545) 5.084 15.173 ( 3.265 -6.428 3.431) 7.984 15.233 ( 2.891 -1.798 0.413) 3.430 15.239 ( 2.157 -1.716 -1.672) 3.224 15.349 ( 1.662 0.670 -1.780) 2.526 15.407 ( -2.401 -2.413 -2.082) 3.990 15.467 ( -2.413 0.288 -1.862) 3.061 15.529 ( -3.021 -4.077 0.143) 5.076 15.729 ( -0.497 1.914 1.027) 2.228 15.863 ( -2.555 4.118 -2.889) 5.642 15.939 ( -7.719 2.779 -1.394) 8.322 16.224 ( -12.399 1.894 1.252) 12.605 16.403 ( 9.902 -4.184 0.225) 10.752 16.589 ( 9.622 4.056 4.882) 11.526 16.676 ( 9.158 -4.474 5.181) 11.433 16.983 ( 1.550 -3.814 -7.491) 8.548 17.245 ( -6.569 -0.201 -3.339) 7.371 17.514 ( -0.047 1.438 -3.208) 3.516 17.569 ( -1.116 -2.304 7.316) 7.751 17.731 ( -4.003 -0.007 0.126) 4.005 17.836 ( 0.370 -0.867 0.617) 1.127 17.934 ( -1.106 -1.029 0.782) 1.701 18.036 ( -4.061 -2.505 3.019) 5.646 18.083 ( -2.409 -5.051 4.053) 6.909 18.283 ( -2.506 2.465 3.874) 5.231 18.382 ( 1.766 3.802 1.012) 4.313 18.407 ( -6.121 1.701 8.458) 10.578 18.687 ( -1.757 2.250 -0.912) 2.997 18.735 ( 1.123 0.163 -0.247) 1.161 18.881 ( 4.389 -3.179 -0.532) 5.445 19.129 ( -2.949 0.714 2.009) 3.639 19.168 ( 5.185 1.240 -11.446) 12.627 19.464 ( 1.053 2.301 -1.567) 2.976 19.576 ( -3.101 2.823 -0.194) 4.198 19.793 ( 5.868 2.512 -2.438) 6.833 19.874 ( 2.810 -0.459 0.133) 2.850 20.159 ( -6.251 -0.926 4.058) 7.510 20.303 ( -5.723 -4.317 0.799) 7.213 20.566 ( -3.036 0.978 0.529) 3.234 20.808 ( -3.581 -4.042 -3.023) 6.189 21.096 ( -5.183 5.502 -0.637) 7.585 21.183 ( -1.747 -0.868 2.974) 3.557 21.267 ( -1.919 1.305 -1.603) 2.821 21.400 ( -3.543 -2.280 3.234) 5.312 21.667 ( 3.934 -0.117 1.257) 4.132 21.730 ( 1.958 0.583 1.231) 2.385 21.783 ( -0.188 -0.633 -0.325) 0.736 21.878 ( 1.713 1.650 -0.877) 2.535 21.906 ( -0.469 -0.550 -1.230) 1.426 22.023 ( 2.953 -3.352 -0.839) 4.545 22.194 ( 5.243 0.223 1.135) 5.369 22.328 ( 9.452 -3.026 -5.903) 11.547 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 19.972 -7.140 10.597) 23.710 1.456 ( 3.475 0.053 4.308) 5.535 1.674 ( 5.205 1.908 2.861) 6.238 1.785 ( 11.737 -0.873 6.443) 13.417 1.890 ( -6.240 -8.295 3.609) 10.989 1.977 ( 3.125 1.513 -7.587) 8.344 2.157 ( 3.717 -11.702 2.045) 12.447 2.292 ( 4.168 -6.385 10.872) 13.279 2.400 ( -4.532 1.271 -3.182) 5.682 2.518 ( -3.917 0.680 7.405) 8.404 2.555 ( 4.241 -0.742 3.013) 5.255 2.663 ( 2.184 2.765 4.064) 5.379 2.673 ( -2.852 3.777 8.968) 10.140 2.834 ( 3.660 4.983 2.744) 6.764 2.895 ( 3.409 9.184 -3.730) 10.483 2.909 ( -2.029 1.484 -1.436) 2.895 3.065 ( 0.956 -7.585 3.664) 8.477 3.121 ( -1.839 -5.297 -0.963) 5.689 3.249 ( -1.198 -0.169 0.704) 1.400 3.257 ( -2.218 3.611 0.271) 4.246 3.328 ( -6.086 -4.573 -7.309) 10.553 3.416 ( -1.088 -0.990 2.689) 3.065 3.546 ( -0.579 0.150 1.264) 1.399 3.603 ( -3.690 1.461 -3.273) 5.144 3.673 ( -6.225 4.140 -3.918) 8.441 3.739 ( 0.360 -0.160 -4.013) 4.032 3.760 ( -3.261 -0.154 -5.412) 6.320 3.882 ( -4.432 -0.145 -2.424) 5.054 3.971 ( -3.111 -5.045 3.113) 6.695 4.046 ( 1.727 2.086 2.097) 3.425 4.136 ( 5.196 -1.001 -0.571) 5.322 4.198 ( 7.213 -2.047 -9.379) 12.007 4.307 ( 4.637 -8.181 -1.194) 9.479 4.405 ( 2.480 3.078 -1.008) 4.079 4.432 ( 1.991 -2.440 5.972) 6.752 4.510 ( 0.778 1.248 0.818) 1.683 4.660 ( -0.812 -2.588 2.937) 3.998 4.752 ( -1.511 -6.022 -0.644) 6.242 4.756 ( 0.908 -0.790 -1.910) 2.257 4.807 ( -2.426 -0.293 -2.518) 3.509 4.919 ( 1.857 2.446 0.087) 3.073 4.959 ( -0.593 -5.041 7.717) 9.236 5.048 ( -9.489 1.672 -10.035) 13.912 5.115 ( 1.147 -3.501 4.247) 5.622 5.222 ( 2.648 0.162 -1.674) 3.137 5.312 ( -1.823 0.770 0.246) 1.994 5.382 ( 0.912 5.282 -10.746) 12.009 5.470 ( 1.019 -2.655 2.321) 3.671 5.477 ( -0.186 -0.675 0.067) 0.703 5.577 ( 3.142 3.195 -1.007) 4.593 5.653 ( -2.386 -1.981 0.955) 3.245 5.759 ( 1.769 0.421 -4.866) 5.194 5.826 ( 3.344 4.733 0.691) 5.836 5.889 ( -1.613 2.532 -4.446) 5.365 5.965 ( -1.335 -2.828 -0.135) 3.130 5.997 ( -1.740 -1.546 -3.294) 4.034 6.079 ( -1.611 -0.380 -2.645) 3.120 6.171 ( -1.177 2.444 -1.857) 3.287 6.197 ( 1.920 2.942 5.416) 6.455 6.294 ( 0.510 -4.623 1.107) 4.781 6.390 ( 1.434 -2.901 3.249) 4.586 6.454 ( -5.491 -6.549 -3.071) 9.082 6.564 ( 3.829 -8.578 -5.659) 10.967 6.653 ( 0.019 -7.275 -3.018) 7.876 6.753 ( 2.011 -7.517 2.456) 8.160 6.922 ( -6.953 -1.271 4.480) 8.368 7.003 ( -2.216 4.758 -4.628) 6.998 7.079 ( 1.624 -1.947 10.189) 10.499 7.106 ( 0.739 -3.786 -3.499) 5.208 7.182 ( 3.958 -11.180 0.443) 11.868 7.261 ( -5.900 -0.152 -3.250) 6.737 7.340 ( -3.405 -5.960 2.713) 7.381 7.417 ( 2.631 2.766 -1.263) 4.021 7.473 ( -2.899 -3.125 4.888) 6.486 7.622 ( 3.577 0.984 7.754) 8.596 7.661 ( -0.654 1.250 -0.288) 1.440 7.711 ( 4.781 -4.471 -1.474) 6.710 7.800 ( -1.008 5.935 -3.815) 7.127 7.890 ( -0.058 1.021 -0.563) 1.167 7.977 ( -3.750 7.909 6.884) 11.136 8.041 ( -0.368 10.080 6.462) 11.979 8.184 ( -1.128 3.986 0.269) 4.151 8.247 ( 0.142 0.460 5.811) 5.831 8.318 ( -6.828 4.397 -0.527) 8.138 8.339 ( 2.999 2.910 0.501) 4.209 8.438 ( -4.107 3.960 -3.511) 6.699 8.538 ( -2.516 -3.450 -0.440) 4.293 8.652 ( 8.552 -1.506 -2.048) 8.922 8.709 ( -2.675 2.454 -2.025) 4.157 8.794 ( 1.369 3.894 -1.234) 4.308 8.809 ( -1.913 1.586 -1.947) 3.157 9.032 ( 4.597 0.505 -5.086) 6.874 9.160 ( 2.064 8.102 -0.189) 8.363 9.409 ( 1.081 1.786 1.715) 2.702 9.610 ( 9.721 3.481 5.752) 11.820 9.735 ( -0.926 -6.257 -2.714) 6.882 9.749 ( 1.883 -0.385 -12.301) 12.450 10.025 ( 9.094 5.595 2.759) 11.028 10.288 ( 7.759 2.112 -3.687) 8.846 10.374 ( -6.477 -4.161 -1.966) 7.946 10.627 ( -4.375 5.393 1.234) 7.053 10.855 ( 1.427 -1.066 1.004) 2.045 10.904 ( 2.231 -5.133 7.507) 9.364 11.056 ( 2.226 -0.983 -1.693) 2.964 13.827 ( -0.438 4.557 -0.033) 4.578 13.884 ( -2.305 5.164 -0.645) 5.692 13.996 ( -2.008 -0.134 0.809) 2.169 14.058 ( -2.135 2.806 -2.068) 4.087 14.216 ( -1.410 0.100 -0.952) 1.704 14.319 ( -0.320 -1.466 -2.351) 2.789 14.404 ( 1.227 0.190 1.066) 1.636 14.431 ( 1.565 1.532 0.333) 2.215 14.545 ( 1.190 -1.166 3.515) 3.890 14.701 ( -0.499 1.897 2.465) 3.150 14.719 ( 1.488 -2.361 1.385) 3.116 14.764 ( -3.897 -1.060 0.510) 4.070 14.923 ( 0.363 5.908 -1.372) 6.077 15.235 ( -1.006 -0.784 -1.739) 2.157 15.244 ( 0.757 -2.519 1.393) 2.976 15.287 ( -0.582 -3.151 -2.614) 4.135 15.307 ( -0.479 -0.595 -3.909) 3.983 15.403 ( 2.477 -2.600 0.528) 3.630 15.456 ( 0.750 -2.398 -0.544) 2.571 15.509 ( 0.726 0.185 2.510) 2.620 15.718 ( -0.548 1.053 -0.535) 1.302 15.790 ( -2.466 6.584 0.087) 7.032 15.838 ( -2.846 5.269 -0.147) 5.990 15.965 ( -11.505 1.488 0.261) 11.604 16.546 ( 2.637 -2.383 -2.307) 4.237 16.692 ( -1.184 0.140 -1.920) 2.260 16.850 ( 8.085 -3.540 5.833) 10.579 17.091 ( 5.811 1.375 -3.403) 6.873 17.147 ( 1.127 -2.158 0.043) 2.435 17.393 ( -7.777 1.405 13.339) 15.504 17.515 ( -6.695 2.846 3.356) 8.012 17.637 ( -3.392 -0.121 -1.953) 3.916 17.843 ( -0.070 -2.347 1.077) 2.583 17.895 ( -0.701 -3.939 1.030) 4.131 17.996 ( -0.392 1.534 -2.211) 2.719 18.055 ( -0.476 -0.649 -1.303) 1.531 18.252 ( -1.261 1.668 2.776) 3.476 18.365 ( 0.182 0.567 3.721) 3.768 18.449 ( 2.804 5.148 1.414) 6.030 18.668 ( 0.176 2.390 -1.609) 2.887 18.752 ( 0.544 -0.212 -0.300) 0.657 18.904 ( -0.346 0.549 -3.054) 3.122 19.055 ( -3.907 0.150 3.244) 5.081 19.265 ( 3.167 -6.666 -7.130) 10.262 19.500 ( 0.873 0.362 0.774) 1.221 19.557 ( 2.512 0.699 -5.726) 6.292 19.833 ( -0.806 -2.603 0.621) 2.795 19.923 ( -0.171 -0.475 1.328) 1.420 20.120 ( 1.342 4.740 -1.637) 5.191 20.225 ( 0.461 -1.067 4.294) 4.449 20.465 ( -6.224 0.097 -0.640) 6.257 20.701 ( -4.733 -4.167 -0.620) 6.336 21.078 ( 1.475 1.291 0.211) 1.972 21.164 ( -0.525 -0.739 0.269) 0.945 21.205 ( -2.750 0.116 -0.957) 2.914 21.307 ( -4.742 -0.740 1.788) 5.122 21.739 ( 1.431 -1.314 0.670) 2.055 21.770 ( 0.713 -1.091 1.204) 1.775 21.817 ( 3.449 0.499 1.537) 3.808 21.878 ( -0.239 -0.639 -0.589) 0.901 21.941 ( 2.496 1.161 -1.535) 3.152 22.087 ( 2.674 -2.781 -1.523) 4.148 22.297 ( 3.607 0.497 1.454) 3.921 22.442 ( 3.216 -2.023 -4.186) 5.653 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -9.525 -6.846 -0.764) 11.755 1.594 ( -14.736 -0.648 -2.341) 14.935 1.729 ( 12.494 -12.709 1.161) 17.859 1.768 ( -0.948 7.995 3.400) 8.739 1.908 ( 4.055 -12.596 2.432) 13.454 2.121 ( -5.815 -7.153 5.120) 10.545 2.238 ( 11.703 3.386 7.207) 14.155 2.289 ( -0.630 -3.735 -1.241) 3.986 2.356 ( 2.861 -9.326 1.206) 9.829 2.466 ( 0.661 0.207 0.841) 1.090 2.513 ( -9.134 -4.440 9.704) 14.047 2.582 ( -4.716 0.430 4.572) 6.582 2.814 ( -4.147 10.892 -5.811) 13.023 2.826 ( 1.982 7.397 13.078) 15.155 2.905 ( 1.299 -1.028 -1.643) 2.333 3.004 ( 6.309 6.688 1.331) 9.289 3.056 ( -1.397 -3.449 -4.182) 5.598 3.100 ( -1.705 -5.680 0.199) 5.934 3.184 ( -2.445 1.085 3.535) 4.433 3.270 ( 5.161 -2.087 -0.936) 5.645 3.359 ( 3.512 -4.630 -3.155) 6.612 3.419 ( -0.891 -1.070 2.135) 2.549 3.486 ( -0.732 0.975 -3.539) 3.743 3.550 ( -1.003 -2.568 1.898) 3.347 3.625 ( 3.431 3.962 1.807) 5.544 3.719 ( 2.469 -2.056 -1.144) 3.411 3.761 ( -2.872 -0.218 -2.090) 3.559 3.805 ( 1.174 0.178 -5.583) 5.708 3.916 ( -1.362 2.474 -1.715) 3.305 4.042 ( -3.014 4.315 0.153) 5.266 4.222 ( 2.491 -2.676 1.943) 4.141 4.284 ( 2.160 -2.002 -5.777) 6.484 4.315 ( -2.933 -3.112 -2.503) 4.955 4.377 ( -2.088 0.740 -2.168) 3.100 4.443 ( -3.857 1.153 3.497) 5.332 4.551 ( 0.096 1.528 4.036) 4.317 4.620 ( -4.225 -4.554 -3.029) 6.912 4.652 ( -7.940 -4.518 -0.764) 9.168 4.691 ( 0.407 -2.093 0.265) 2.149 4.839 ( 4.189 5.597 -2.968) 7.595 4.911 ( 0.755 -0.108 -4.737) 4.798 4.978 ( 0.003 -8.470 5.546) 10.124 5.020 ( 4.815 1.254 0.386) 4.990 5.143 ( 2.878 0.630 1.132) 3.156 5.231 ( -2.684 2.554 0.141) 3.707 5.312 ( 3.027 -4.193 -3.962) 6.515 5.420 ( 0.486 8.480 -2.402) 8.827 5.502 ( 3.807 0.032 2.111) 4.353 5.526 ( 0.983 1.881 0.105) 2.124 5.609 ( 2.757 -0.527 -3.055) 4.148 5.636 ( -3.150 -0.371 2.537) 4.062 5.729 ( -0.111 -4.305 -8.097) 9.171 5.814 ( -2.844 0.025 -11.394) 11.744 5.916 ( -2.034 1.106 1.954) 3.030 5.930 ( 2.746 2.923 -3.244) 5.159 6.029 ( 8.354 -0.937 -5.773) 10.197 6.070 ( 2.537 -1.748 -4.245) 5.245 6.153 ( -1.763 -4.241 4.994) 6.785 6.226 ( -1.621 1.900 10.587) 10.878 6.344 ( 1.999 -9.981 8.031) 12.966 6.375 ( 0.821 0.276 -2.735) 2.869 6.467 ( 1.768 -5.755 1.746) 6.268 6.670 ( 3.247 -3.272 -0.660) 4.657 6.677 ( 2.981 -8.795 -1.917) 9.482 6.728 ( -0.479 -3.008 3.259) 4.461 6.858 ( -6.486 -0.356 -1.140) 6.595 6.901 ( -3.450 -0.006 -2.255) 4.122 6.990 ( 0.083 -2.569 -0.846) 2.706 7.136 ( -3.770 -7.071 0.454) 8.026 7.178 ( 0.180 0.607 1.510) 1.637 7.271 ( -2.984 -12.277 5.798) 13.901 7.338 ( 7.196 -3.376 -8.751) 11.822 7.389 ( -0.249 -3.938 4.325) 5.855 7.555 ( -4.392 3.183 -3.147) 6.271 7.578 ( 6.272 4.683 -1.645) 7.998 7.632 ( -3.321 7.361 0.718) 8.108 7.758 ( -1.432 0.644 1.185) 1.968 7.806 ( -0.752 -0.494 2.733) 2.878 7.901 ( -0.301 4.720 4.855) 6.777 7.988 ( 3.884 1.734 1.319) 4.453 8.018 ( -2.652 1.160 2.176) 3.621 8.124 ( -8.678 10.056 5.072) 14.218 8.160 ( -3.623 1.745 2.395) 4.680 8.260 ( 0.649 -2.823 5.446) 6.169 8.354 ( 0.412 6.370 4.754) 7.959 8.433 ( 3.232 2.130 -5.166) 6.455 8.473 ( -1.919 -0.245 -5.074) 5.430 8.636 ( -2.788 6.438 -1.990) 7.293 8.721 ( -3.000 3.279 -1.325) 4.638 8.800 ( -0.783 5.783 0.100) 5.836 8.881 ( 8.228 -6.124 -5.933) 11.850 9.102 ( 1.923 -2.542 -3.903) 5.039 9.212 ( 3.901 2.574 0.064) 4.673 9.426 ( -0.616 4.136 3.445) 5.418 9.616 ( -2.959 0.969 -6.039) 6.794 9.718 ( -0.544 0.345 0.543) 0.843 9.924 ( 9.615 4.485 -3.246) 11.095 10.139 ( -11.515 0.492 -2.961) 11.900 10.269 ( 9.331 0.814 2.516) 9.698 10.337 ( -2.939 6.382 0.545) 7.047 10.587 ( 1.595 -0.482 -1.721) 2.396 10.793 ( -4.151 -0.379 -4.983) 6.496 10.984 ( 2.004 -8.775 10.047) 13.489 11.146 ( 4.656 -2.410 3.480) 6.293 13.816 ( -0.183 3.976 0.272) 3.989 13.868 ( 0.396 5.841 -0.942) 5.930 13.949 ( -1.844 -0.620 -0.526) 2.015 14.022 ( -0.144 2.135 -2.981) 3.669 14.213 ( 0.286 -0.220 0.382) 0.526 14.307 ( -0.656 -1.693 -2.195) 2.848 14.439 ( 1.482 2.022 1.206) 2.782 14.467 ( 1.889 1.069 1.919) 2.897 14.569 ( -0.479 -2.153 3.229) 3.911 14.667 ( -1.426 -1.442 -0.574) 2.108 14.719 ( 0.940 0.354 1.199) 1.564 14.742 ( -0.162 -0.933 1.584) 1.845 14.931 ( -1.313 5.519 -1.062) 5.772 15.188 ( -3.600 -1.160 -1.767) 4.174 15.211 ( 0.509 -1.027 -1.023) 1.537 15.268 ( -0.583 -0.152 -4.099) 4.143 15.355 ( 2.468 -2.053 0.805) 3.310 15.438 ( -0.649 -0.731 -1.296) 1.623 15.484 ( 2.202 -0.456 1.992) 3.004 15.548 ( 1.223 -2.034 4.050) 4.694 15.708 ( 0.913 3.033 -2.387) 3.966 15.766 ( -3.480 2.108 -1.241) 4.254 15.780 ( -1.371 4.077 1.329) 4.502 15.825 ( 1.520 6.246 0.490) 6.447 16.524 ( -2.877 0.700 -5.204) 5.988 16.595 ( -5.941 0.381 -5.872) 8.362 16.986 ( 2.298 -0.182 8.839) 9.135 17.116 ( -6.625 0.354 4.905) 8.251 17.215 ( 4.977 -1.895 -1.555) 5.548 17.339 ( 0.176 1.542 5.197) 5.424 17.382 ( -4.815 -2.586 2.032) 5.831 17.603 ( 2.258 0.748 0.578) 2.448 17.827 ( -1.353 -1.557 -0.787) 2.208 17.896 ( 0.168 -4.603 0.581) 4.642 18.027 ( 3.498 0.699 -1.724) 3.962 18.052 ( 0.659 0.974 -2.000) 2.320 18.236 ( -0.700 1.477 3.219) 3.610 18.386 ( 0.747 0.609 4.130) 4.241 18.486 ( 0.498 5.877 0.246) 5.903 18.687 ( 1.446 1.653 0.170) 2.202 18.753 ( -0.359 -0.309 -0.920) 1.035 18.887 ( -0.049 1.374 -4.957) 5.144 18.991 ( -2.644 -0.333 2.840) 3.894 19.291 ( 1.025 -5.140 -4.238) 6.740 19.485 ( -1.931 0.593 0.342) 2.049 19.633 ( 4.600 -2.970 -5.472) 7.741 19.823 ( 0.559 -3.784 2.115) 4.371 19.892 ( -1.852 -1.145 0.159) 2.183 20.172 ( 3.105 3.970 1.638) 5.300 20.235 ( -3.876 3.797 -0.698) 5.471 20.413 ( 4.052 -2.602 3.051) 5.701 20.623 ( -2.237 -3.415 -2.186) 4.631 21.101 ( -0.434 -0.880 0.455) 1.081 21.170 ( 1.435 -1.502 -0.893) 2.261 21.186 ( 1.900 0.551 0.920) 2.182 21.231 ( -2.403 0.512 0.357) 2.483 21.748 ( -0.305 -1.101 0.222) 1.164 21.775 ( -0.858 -1.827 -0.055) 2.019 21.835 ( -0.565 0.966 0.624) 1.281 21.912 ( 1.741 -1.056 2.724) 3.401 21.970 ( 0.327 0.983 -1.542) 1.858 22.110 ( -0.402 -2.450 -2.296) 3.382 22.334 ( -0.429 0.670 1.149) 1.397 22.480 ( 1.403 -1.815 -2.599) 3.467 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -14.720 0.424 6.792) 16.217 1.129 ( -25.311 -2.735 -1.305) 25.491 1.679 ( -3.761 -9.984 1.132) 10.729 1.890 ( -7.560 2.604 14.429) 16.496 1.981 ( -6.172 -3.108 4.933) 8.490 2.048 ( 4.778 -7.106 -0.859) 8.606 2.229 ( -7.921 0.953 7.365) 10.858 2.271 ( -2.369 -1.507 1.194) 3.051 2.391 ( -5.368 -3.845 5.089) 8.336 2.407 ( -3.385 -2.868 5.470) 7.043 2.496 ( 7.230 3.570 2.445) 8.426 2.568 ( 3.736 0.051 -0.327) 3.751 2.755 ( 0.190 11.374 -6.068) 12.893 2.864 ( 0.219 1.335 7.610) 7.729 2.943 ( 3.347 -0.049 -5.987) 6.859 3.006 ( -1.553 -4.601 -3.585) 6.036 3.010 ( -1.022 -1.577 -0.173) 1.887 3.139 ( -1.430 3.861 -0.005) 4.117 3.160 ( 1.358 -2.450 8.897) 9.327 3.315 ( -0.126 -0.074 4.938) 4.940 3.396 ( 2.708 -6.246 -8.310) 10.742 3.465 ( 4.523 -4.871 2.850) 7.233 3.550 ( 4.162 -3.650 0.546) 5.562 3.648 ( 8.560 -4.876 -0.197) 9.853 3.678 ( -3.087 4.606 -6.327) 8.413 3.719 ( 2.888 -1.931 -0.802) 3.565 3.806 ( 0.005 4.417 -8.072) 9.202 3.846 ( 5.617 1.274 -1.507) 5.953 3.884 ( -1.252 6.187 0.443) 6.328 4.020 ( 5.037 0.684 5.046) 7.163 4.173 ( -7.052 10.741 -2.896) 13.171 4.263 ( -3.181 -0.530 -4.926) 5.888 4.283 ( -0.444 -7.297 -1.642) 7.493 4.327 ( -1.407 -5.076 -6.783) 8.588 4.339 ( -4.265 -1.413 -1.122) 4.631 4.509 ( -1.062 -6.000 2.199) 6.478 4.554 ( 1.035 1.479 0.406) 1.851 4.583 ( -0.195 -2.606 -0.099) 2.615 4.713 ( -3.740 -5.788 3.145) 7.575 4.877 ( -0.694 1.715 -0.965) 2.086 4.943 ( 2.616 -4.169 1.829) 5.250 4.963 ( -0.473 -5.881 3.815) 7.026 5.160 ( 2.662 -1.601 -4.396) 5.383 5.186 ( 2.622 1.217 -2.709) 3.962 5.244 ( 5.030 2.951 -1.081) 5.931 5.324 ( -4.877 4.963 0.635) 6.988 5.366 ( 1.478 3.985 -7.082) 8.259 5.468 ( -6.945 -1.799 6.129) 9.435 5.585 ( 4.106 2.855 -1.187) 5.140 5.611 ( 1.135 -3.021 2.083) 3.841 5.682 ( 2.215 0.773 -9.162) 9.457 5.732 ( 1.942 -5.773 0.064) 6.091 5.814 ( 3.276 1.871 5.622) 6.771 5.873 ( -0.526 -0.405 -0.546) 0.860 5.973 ( 0.605 -0.181 -4.853) 4.894 6.071 ( -4.123 -0.939 -1.402) 4.456 6.116 ( 0.675 -4.950 2.884) 5.768 6.212 ( -0.140 -6.076 5.145) 7.963 6.248 ( 7.293 -9.292 -8.287) 14.429 6.365 ( 0.623 2.203 3.530) 4.207 6.437 ( 3.748 -3.511 10.024) 11.262 6.486 ( -3.065 -2.077 -5.527) 6.653 6.572 ( -1.681 -1.102 -4.219) 4.674 6.680 ( -2.641 -1.371 -6.278) 6.947 6.771 ( 0.590 2.325 -0.254) 2.413 6.850 ( 5.565 -1.326 -4.251) 7.127 6.941 ( 7.294 -1.924 -0.294) 7.549 7.016 ( -4.988 -4.373 -9.567) 11.641 7.041 ( 2.127 -6.205 8.212) 10.510 7.172 ( -1.386 -2.410 9.646) 10.038 7.276 ( 2.201 -6.834 9.692) 12.061 7.410 ( 2.057 3.392 -0.043) 3.967 7.423 ( -0.793 2.122 -1.979) 3.008 7.520 ( -0.484 -1.085 -3.460) 3.658 7.550 ( -3.178 -1.586 4.854) 6.014 7.627 ( -3.514 4.630 2.347) 6.268 7.719 ( -0.874 0.228 4.891) 4.974 7.784 ( 1.137 2.929 -6.801) 7.492 7.864 ( -5.539 4.470 4.267) 8.298 7.917 ( -4.229 5.010 2.487) 7.012 8.000 ( -0.888 0.571 -5.971) 6.064 8.020 ( 2.928 8.181 -0.447) 8.700 8.244 ( 3.093 -0.447 6.115) 6.868 8.262 ( -2.096 1.554 3.541) 4.398 8.352 ( -1.795 5.051 3.128) 6.206 8.398 ( -0.294 -2.817 -8.654) 9.106 8.534 ( 3.578 5.254 -0.156) 6.359 8.584 ( -1.281 3.109 -3.413) 4.791 8.673 ( -0.612 2.214 0.418) 2.335 8.795 ( 0.735 3.539 -0.143) 3.617 8.936 ( -1.970 -4.981 -3.687) 6.503 9.148 ( 2.441 1.559 -5.424) 6.149 9.289 ( 2.387 -0.039 3.466) 4.208 9.391 ( -2.281 3.004 5.458) 6.634 9.547 ( -5.440 3.715 -3.039) 7.254 9.715 ( 0.398 0.649 0.342) 0.835 9.840 ( -9.372 -0.260 -5.189) 10.716 10.047 ( -3.008 0.346 1.047) 3.204 10.246 ( -1.744 4.780 -0.796) 5.150 10.429 ( 3.213 2.705 -3.295) 5.338 10.645 ( 4.966 -2.376 -1.850) 5.808 10.769 ( 2.694 4.689 -1.005) 5.500 11.002 ( -2.855 -17.500 8.776) 19.784 11.213 ( 0.644 -3.603 2.028) 4.184 13.842 ( 2.471 4.889 0.967) 5.563 13.877 ( 1.223 6.183 -1.409) 6.458 13.933 ( 0.182 -0.228 -1.398) 1.428 14.046 ( 2.696 1.450 -1.904) 3.605 14.214 ( -0.234 -0.080 0.038) 0.250 14.275 ( -2.017 -0.843 -1.134) 2.463 14.465 ( 1.040 3.546 -1.083) 3.851 14.512 ( 1.562 -0.472 3.347) 3.723 14.573 ( 1.126 -0.665 4.231) 4.428 14.624 ( -2.620 -3.050 -1.857) 4.429 14.717 ( -0.457 -0.733 1.468) 1.704 14.828 ( 6.520 -1.220 1.924) 6.907 14.860 ( -4.457 5.336 -0.741) 6.992 15.127 ( -1.939 0.359 1.283) 2.353 15.191 ( -2.177 -0.748 -6.376) 6.778 15.249 ( -1.840 0.684 -1.992) 2.797 15.353 ( -2.079 1.508 -1.293) 2.875 15.429 ( 0.452 -0.721 0.231) 0.881 15.506 ( -0.967 1.299 2.550) 3.021 15.580 ( 3.468 -0.919 4.666) 5.885 15.707 ( -1.096 3.093 0.410) 3.306 15.782 ( 0.797 -1.359 -7.302) 7.470 15.836 ( 8.514 1.970 2.175) 9.006 15.907 ( 6.061 6.770 -0.091) 9.087 16.406 ( -6.648 -0.297 -3.148) 7.361 16.512 ( -0.743 6.171 -2.716) 6.783 16.882 ( -13.137 -1.417 -1.104) 13.259 16.951 ( -7.323 0.830 9.284) 11.853 17.254 ( -5.532 -2.026 -0.210) 5.895 17.305 ( 3.750 4.926 2.070) 6.528 17.465 ( 8.153 -4.772 0.670) 9.471 17.701 ( 4.484 -0.261 2.142) 4.976 17.798 ( -0.879 -0.792 -2.245) 2.537 17.902 ( 0.398 -5.177 0.746) 5.246 18.061 ( 0.743 1.529 -1.329) 2.157 18.106 ( 2.469 -1.941 1.684) 3.563 18.237 ( 0.246 1.770 3.476) 3.908 18.398 ( -0.268 0.667 2.423) 2.527 18.482 ( -1.035 7.033 3.887) 8.102 18.706 ( 0.078 0.679 0.525) 0.862 18.737 ( -0.890 -0.120 -0.865) 1.247 18.906 ( 1.686 1.693 -4.872) 5.426 18.962 ( 1.127 -0.889 -0.292) 1.464 19.308 ( 1.236 -4.179 -2.683) 5.117 19.446 ( -0.932 1.781 -1.201) 2.342 19.714 ( 3.674 -2.549 -4.511) 6.352 19.845 ( -1.833 -3.003 0.482) 3.551 19.866 ( 0.334 -2.640 2.120) 3.403 20.107 ( -2.866 -0.414 -1.093) 3.095 20.312 ( 7.308 5.286 5.811) 10.729 20.498 ( 1.436 -5.261 -0.048) 5.453 20.635 ( 4.261 -0.154 -2.452) 4.919 21.077 ( -1.320 -0.326 0.249) 1.382 21.209 ( 0.699 1.468 -0.209) 1.640 21.219 ( 2.904 -2.098 -0.540) 3.623 21.278 ( 5.983 0.337 2.252) 6.402 21.719 ( -2.319 -1.438 0.269) 2.742 21.755 ( -0.603 -0.360 0.694) 0.987 21.822 ( -0.932 0.542 1.396) 1.764 21.927 ( -0.867 0.045 -0.083) 0.872 21.948 ( -1.933 -0.517 0.441) 2.049 22.059 ( -3.877 -1.877 -2.955) 5.224 22.286 ( -4.063 0.659 0.809) 4.194 22.487 ( -0.881 -3.758 -3.183) 5.003 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -15.468 5.818 11.532) 20.152 0.872 ( -7.877 10.177 21.169) 24.774 1.520 ( -23.671 17.788 22.234) 37.028 1.599 ( -6.690 -7.480 5.773) 11.578 1.843 ( 0.238 -4.623 6.345) 7.854 2.077 ( -3.954 -3.977 9.164) 10.744 2.166 ( -4.151 -0.598 5.177) 6.663 2.265 ( -2.101 4.337 -5.313) 7.173 2.320 ( 4.717 -6.645 -1.211) 8.238 2.395 ( -0.403 -1.816 1.898) 2.658 2.544 ( -1.088 1.652 5.277) 5.636 2.660 ( -1.448 4.815 -6.646) 8.334 2.718 ( -0.027 6.244 0.038) 6.244 2.864 ( -2.034 -1.927 4.739) 5.505 2.955 ( -2.591 -0.139 2.997) 3.965 3.002 ( 3.375 -3.690 -0.426) 5.019 3.083 ( 6.569 1.727 -1.988) 7.077 3.110 ( -1.275 1.417 3.044) 3.592 3.240 ( 4.989 -8.172 0.124) 9.575 3.328 ( 2.042 -2.336 2.490) 3.978 3.432 ( 3.224 -0.464 -10.407) 10.905 3.565 ( 1.073 0.574 6.280) 6.397 3.597 ( -0.501 -0.643 -3.453) 3.548 3.675 ( 2.834 0.494 -3.540) 4.561 3.677 ( 2.026 1.447 -8.981) 9.320 3.753 ( 0.407 -1.744 -2.249) 2.874 3.848 ( 2.359 1.068 -2.718) 3.754 3.903 ( 1.642 -0.549 0.484) 1.797 3.939 ( 1.929 0.746 -3.218) 3.826 4.057 ( 0.447 6.142 -6.150) 8.703 4.129 ( -2.874 -7.063 -0.945) 7.684 4.223 ( 3.941 -1.402 1.236) 4.361 4.247 ( -4.602 -3.760 -0.682) 5.982 4.285 ( -0.684 1.781 -6.274) 6.557 4.335 ( 4.488 -7.183 -1.400) 8.585 4.496 ( -0.502 0.791 -1.513) 1.780 4.528 ( -5.792 -2.753 7.143) 9.599 4.561 ( -2.617 -8.012 4.178) 9.407 4.729 ( 9.005 0.518 -7.183) 11.530 4.843 ( -1.659 -1.236 1.653) 2.648 4.915 ( -3.192 -3.985 0.561) 5.137 5.008 ( -1.922 0.383 7.997) 8.234 5.147 ( -0.827 -8.782 -5.707) 10.506 5.178 ( -1.957 -1.177 -3.257) 3.978 5.265 ( -1.570 1.895 -1.651) 2.964 5.290 ( -3.172 3.180 4.141) 6.109 5.347 ( 5.457 -0.048 1.178) 5.583 5.514 ( 4.656 6.150 -2.324) 8.056 5.568 ( -3.705 -6.149 -6.063) 9.397 5.649 ( 2.778 -2.617 -0.759) 3.891 5.707 ( -1.779 -6.883 1.084) 7.192 5.825 ( 5.222 0.336 0.936) 5.316 5.852 ( -4.534 -3.636 -2.700) 6.408 5.896 ( 6.838 -0.038 1.611) 7.025 5.987 ( 2.514 3.503 0.620) 4.356 6.039 ( 2.979 -2.186 -1.878) 4.145 6.089 ( 0.040 -2.331 -0.938) 2.513 6.211 ( -2.539 -3.288 -0.354) 4.170 6.317 ( -2.345 -3.148 1.177) 4.098 6.351 ( 0.198 -10.353 4.990) 11.495 6.417 ( 1.175 -0.940 -4.582) 4.822 6.454 ( -3.323 0.469 -4.830) 5.881 6.551 ( -5.056 1.563 -3.092) 6.129 6.672 ( 3.994 2.018 0.542) 4.508 6.824 ( 4.619 -2.868 -2.455) 5.965 6.915 ( -0.471 -4.841 -5.722) 7.510 6.990 ( 3.144 3.528 -4.275) 6.373 7.052 ( 0.140 5.738 1.771) 6.006 7.114 ( 2.595 3.992 5.782) 7.490 7.211 ( 4.786 -1.296 12.881) 13.803 7.308 ( -2.577 -5.080 5.868) 8.178 7.368 ( -0.783 7.915 -0.229) 7.957 7.388 ( -2.216 1.092 5.080) 5.649 7.453 ( -1.281 -1.295 0.150) 1.828 7.530 ( -3.637 -4.211 0.369) 5.577 7.584 ( -3.809 -1.979 6.472) 7.766 7.677 ( 3.960 -3.822 -8.099) 9.792 7.794 ( 0.113 4.380 0.745) 4.445 7.884 ( 3.515 2.935 -0.270) 4.587 7.939 ( 0.996 3.450 -11.860) 12.391 7.951 ( 0.573 2.976 6.172) 6.876 8.106 ( 2.049 7.092 -3.970) 8.381 8.136 ( -2.617 3.029 8.578) 9.466 8.282 ( -0.172 0.990 -1.533) 1.833 8.349 ( 0.832 5.557 -2.955) 6.349 8.416 ( 1.166 0.565 -4.445) 4.630 8.540 ( 0.318 3.152 1.574) 3.537 8.561 ( -2.376 0.753 -0.483) 2.539 8.704 ( -0.710 3.353 0.178) 3.432 8.775 ( -2.144 -1.329 0.579) 2.588 8.915 ( 2.438 0.770 -1.260) 2.850 9.108 ( -4.871 0.446 -4.575) 6.697 9.310 ( -7.040 6.507 9.925) 13.799 9.340 ( -5.068 -4.897 0.359) 7.057 9.383 ( 0.439 4.022 3.371) 5.266 9.721 ( 0.343 10.978 -6.709) 12.870 9.763 ( 0.322 -12.025 0.856) 12.060 9.956 ( -3.237 -2.734 -3.338) 5.394 10.197 ( -1.785 -1.703 -0.913) 2.631 10.494 ( 2.527 7.166 -2.046) 7.869 10.744 ( -0.170 -5.241 0.739) 5.296 10.809 ( -15.325 -21.066 2.535) 26.174 10.847 ( 3.449 2.028 -0.492) 4.031 11.174 ( -3.664 -2.254 -1.732) 4.637 13.885 ( 1.777 4.583 1.604) 5.171 13.909 ( -0.573 3.283 -1.063) 3.498 13.995 ( 7.036 5.452 -4.256) 9.866 14.122 ( 4.512 0.919 0.162) 4.608 14.211 ( 0.111 0.377 0.669) 0.776 14.230 ( -1.627 0.538 -0.439) 1.769 14.457 ( -1.856 2.383 -5.347) 6.141 14.531 ( -0.655 -1.890 0.330) 2.028 14.589 ( -0.031 -3.623 3.197) 4.833 14.613 ( 1.325 0.240 4.882) 5.064 14.731 ( 0.734 0.185 5.243) 5.298 14.770 ( -1.553 3.608 -1.538) 4.218 14.972 ( 4.871 -2.926 3.354) 6.598 15.086 ( -1.626 3.183 -1.276) 3.795 15.153 ( 0.032 -2.340 -1.587) 2.827 15.206 ( -0.227 2.446 -1.727) 3.003 15.294 ( -3.002 0.603 -1.974) 3.643 15.466 ( 3.126 1.472 0.191) 3.461 15.495 ( -0.549 0.586 3.081) 3.184 15.676 ( 3.238 -2.037 4.223) 5.698 15.692 ( 1.043 4.894 -1.348) 5.182 15.756 ( -1.525 0.376 -9.520) 9.649 15.980 ( 5.589 4.246 -2.141) 7.338 16.128 ( 13.149 3.816 2.463) 13.912 16.300 ( -2.233 -0.869 2.230) 3.273 16.466 ( -9.118 -2.041 0.609) 9.363 16.699 ( 1.886 13.308 3.560) 13.904 16.769 ( -8.670 3.172 3.958) 10.044 17.144 ( -4.103 -3.035 -2.696) 5.772 17.394 ( 3.512 3.803 -0.792) 5.236 17.616 ( 5.192 -4.257 0.320) 6.722 17.768 ( 2.197 -0.831 0.401) 2.383 17.796 ( 1.198 -0.234 -0.156) 1.230 17.899 ( -1.672 -4.672 -0.051) 4.963 18.067 ( 0.139 -0.527 0.230) 0.592 18.128 ( -0.555 -2.733 2.914) 4.033 18.255 ( 0.921 1.681 3.473) 3.967 18.392 ( -0.496 2.754 1.138) 3.021 18.462 ( -1.118 5.328 7.350) 9.147 18.698 ( -0.779 0.442 -1.066) 1.392 18.720 ( -0.511 -0.099 -0.260) 0.582 18.889 ( -1.485 -2.441 -0.893) 2.994 19.069 ( 6.556 1.540 -2.453) 7.167 19.330 ( 0.882 -3.665 -1.280) 3.981 19.458 ( 2.317 2.550 -1.869) 3.920 19.730 ( -6.151 -1.961 0.439) 6.471 19.782 ( 0.641 -0.707 -3.116) 3.259 19.824 ( -3.951 1.368 -2.222) 4.735 20.166 ( 6.995 -7.093 2.837) 10.358 20.456 ( -0.169 -9.048 5.915) 10.811 20.539 ( 6.677 3.499 -1.024) 7.608 20.734 ( 5.105 1.068 -4.140) 6.659 21.057 ( -0.007 2.046 0.627) 2.140 21.228 ( 0.642 -0.263 -2.309) 2.411 21.314 ( 6.040 -0.213 1.543) 6.238 21.447 ( 9.885 -0.087 4.650) 10.924 21.680 ( -1.367 0.007 1.553) 2.069 21.746 ( -0.445 0.916 2.319) 2.533 21.798 ( -2.385 -0.805 -0.018) 2.517 21.869 ( -3.005 0.623 -1.237) 3.309 21.920 ( -1.988 -1.688 -0.743) 2.712 21.944 ( -5.223 -0.585 -3.491) 6.309 22.184 ( -5.043 0.313 0.520) 5.080 22.390 ( -8.861 -6.306 -5.468) 12.173 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.977 11.367 18.615) 21.832 1.224 ( 8.291 16.898 25.876) 31.998 1.339 ( -4.009 -9.053 8.873) 13.295 1.657 ( -1.721 9.628 1.807) 9.947 1.849 ( 6.593 -10.087 11.875) 16.919 1.926 ( -4.325 12.569 7.236) 15.135 2.057 ( 0.040 -2.654 14.099) 14.347 2.232 ( -1.722 -10.013 -1.347) 10.249 2.355 ( -1.967 8.247 -13.481) 15.925 2.452 ( -0.612 4.462 -1.062) 4.627 2.578 ( 3.162 3.990 -5.599) 7.568 2.652 ( 4.297 -4.346 2.075) 6.455 2.808 ( -2.018 6.597 3.842) 7.896 2.872 ( -9.494 6.494 0.673) 11.522 2.922 ( 0.113 1.894 0.969) 2.130 3.059 ( 0.338 5.815 -0.154) 5.827 3.120 ( -5.090 -4.413 -3.091) 7.412 3.245 ( 3.528 3.965 3.742) 6.494 3.288 ( 6.751 -1.777 1.058) 7.061 3.306 ( 4.239 -0.864 -2.503) 4.998 3.450 ( -4.856 -5.135 -1.236) 7.175 3.535 ( -0.091 -10.124 0.866) 10.162 3.577 ( 1.056 4.093 -2.705) 5.019 3.671 ( -2.029 2.055 -1.724) 3.363 3.688 ( 4.705 -1.344 -7.676) 9.103 3.808 ( -2.946 0.647 -0.192) 3.023 3.860 ( 1.788 -4.851 -3.725) 6.372 3.897 ( 0.483 -0.394 -1.163) 1.320 3.907 ( 0.191 -6.114 2.175) 6.492 3.992 ( -1.403 -3.838 -4.451) 6.043 4.027 ( -0.865 3.449 -5.323) 6.401 4.119 ( 0.718 -1.161 1.874) 2.319 4.216 ( -1.832 -0.338 1.120) 2.173 4.256 ( 8.054 1.393 -8.354) 11.687 4.314 ( 2.985 0.781 -3.277) 4.501 4.434 ( -4.183 1.082 -0.486) 4.348 4.485 ( -3.679 -0.482 -3.405) 5.036 4.610 ( -0.411 -4.437 -0.591) 4.495 4.651 ( 1.281 -6.755 -2.994) 7.499 4.730 ( 0.044 -10.809 -2.290) 11.049 4.888 ( 2.750 -0.385 1.247) 3.044 4.911 ( -1.052 -7.184 -1.550) 7.425 4.954 ( -0.513 -2.074 8.941) 9.192 5.109 ( -0.709 -6.811 0.431) 6.861 5.218 ( -1.689 1.718 1.080) 2.640 5.276 ( -2.390 -3.577 1.606) 4.592 5.380 ( -0.551 -0.032 -1.432) 1.534 5.445 ( 0.934 -6.451 2.044) 6.831 5.488 ( -0.529 -0.150 2.492) 2.552 5.550 ( -2.337 -3.533 5.434) 6.890 5.620 ( 0.052 -4.521 -3.038) 5.447 5.692 ( 7.653 -5.374 -0.161) 9.353 5.825 ( -4.080 -4.698 1.342) 6.365 5.912 ( 1.582 -1.609 2.039) 3.042 5.969 ( -1.976 -0.037 1.506) 2.485 6.059 ( 1.460 1.234 -1.016) 2.165 6.094 ( -1.981 3.743 -4.308) 6.041 6.177 ( -5.777 -2.610 3.020) 7.022 6.251 ( 4.577 -3.841 -2.411) 6.443 6.397 ( -1.952 0.200 -1.238) 2.320 6.447 ( -1.414 4.152 -2.920) 5.269 6.519 ( 0.045 8.139 -1.595) 8.294 6.559 ( 7.451 0.435 -6.704) 10.033 6.725 ( 4.035 -5.634 -7.410) 10.145 6.830 ( 1.548 4.350 -0.488) 4.643 6.880 ( -3.921 8.573 2.477) 9.747 6.990 ( -9.336 -3.205 1.928) 10.057 7.126 ( -1.291 -5.940 -1.960) 6.387 7.161 ( 1.543 -4.841 -4.555) 6.824 7.183 ( -3.646 -5.720 5.657) 8.833 7.234 ( -5.227 2.912 -0.350) 5.994 7.326 ( 1.383 -5.581 0.937) 5.826 7.403 ( -1.625 5.460 3.880) 6.892 7.458 ( 3.031 0.819 0.266) 3.151 7.529 ( -2.906 1.406 4.739) 5.734 7.650 ( 2.385 0.011 0.954) 2.568 7.727 ( 5.044 5.573 6.003) 9.620 7.817 ( 4.866 2.638 -6.084) 8.226 7.885 ( -3.476 2.260 -5.974) 7.272 8.015 ( 0.327 -0.835 -13.734) 13.763 8.068 ( 5.908 1.245 -1.296) 6.175 8.181 ( -3.624 -3.536 -1.684) 5.336 8.200 ( 5.623 6.848 4.678) 10.020 8.369 ( -0.264 2.301 3.214) 3.962 8.516 ( 4.220 4.975 -2.381) 6.944 8.534 ( 3.344 8.511 2.319) 9.433 8.572 ( 1.225 2.128 2.215) 3.306 8.622 ( -1.392 4.578 3.751) 6.080 8.668 ( -3.000 -0.265 5.272) 6.071 8.740 ( 3.184 -1.301 4.983) 6.055 8.962 ( -2.485 1.185 -1.800) 3.289 9.056 ( -1.134 1.830 -2.461) 3.270 9.167 ( -3.791 0.096 5.658) 6.811 9.330 ( -5.404 -3.545 1.435) 6.621 9.394 ( 0.413 -0.760 3.392) 3.501 9.558 ( 0.138 -0.268 0.172) 0.347 9.790 ( -3.280 -4.296 -4.424) 6.985 9.886 ( 2.126 -1.591 -2.807) 3.864 10.111 ( -5.230 3.438 3.232) 7.045 10.210 ( 3.175 -1.462 0.417) 3.520 10.745 ( 3.459 4.460 -1.979) 5.981 10.829 ( 2.257 -0.397 0.093) 2.293 10.932 ( -1.350 3.707 0.526) 3.980 11.063 ( -2.784 -2.190 -1.806) 3.976 13.962 ( -0.090 4.843 -0.068) 4.844 14.034 ( 0.832 5.246 1.066) 5.418 14.102 ( 0.602 -0.215 -2.950) 3.018 14.159 ( -2.177 -1.303 -0.061) 2.538 14.255 ( 3.167 1.893 3.838) 5.324 14.304 ( 4.348 0.842 1.307) 4.617 14.384 ( -3.570 -1.335 -1.126) 3.974 14.428 ( -2.398 -2.580 -2.596) 4.376 14.570 ( -0.222 0.519 2.301) 2.369 14.625 ( 0.520 -1.490 3.177) 3.548 14.781 ( -1.745 3.525 1.342) 4.155 14.811 ( 0.778 1.124 2.589) 2.928 14.994 ( 2.319 -1.950 -0.430) 3.060 15.033 ( -2.404 -2.762 -0.163) 3.665 15.179 ( 2.304 2.668 -1.224) 3.732 15.241 ( -1.826 0.584 -3.118) 3.660 15.284 ( 3.552 -0.267 -0.916) 3.678 15.417 ( -0.859 -2.771 -1.783) 3.405 15.468 ( -1.972 -2.142 -2.801) 4.040 15.544 ( -3.126 -3.260 -5.780) 7.336 15.814 ( -0.863 4.917 1.916) 5.348 15.909 ( 3.634 2.093 2.916) 5.108 16.104 ( -1.067 0.419 -0.349) 1.198 16.197 ( -2.373 -2.689 -2.193) 4.204 16.354 ( 5.073 0.123 6.881) 8.550 16.418 ( 7.842 -1.675 5.330) 9.629 16.608 ( -5.753 7.060 -1.190) 9.185 16.897 ( -2.563 -6.836 -4.491) 8.572 17.311 ( 7.631 7.587 -0.563) 10.775 17.491 ( 1.216 1.041 0.493) 1.675 17.581 ( -1.592 0.345 -0.901) 1.862 17.733 ( -0.949 -3.553 -3.491) 5.071 17.804 ( 1.324 -0.470 0.582) 1.521 17.862 ( 3.440 -2.390 0.615) 4.234 18.033 ( -0.854 -1.049 0.590) 1.475 18.056 ( -2.202 -1.762 0.623) 2.888 18.319 ( 0.563 2.053 3.815) 4.369 18.419 ( -0.139 -1.481 1.936) 2.441 18.538 ( -2.402 5.002 6.681) 8.685 18.676 ( 0.277 -0.634 -0.895) 1.131 18.717 ( 0.127 0.335 -0.231) 0.426 18.781 ( -1.642 -3.193 2.207) 4.215 19.186 ( 0.363 2.067 0.867) 2.271 19.257 ( -2.510 -1.221 0.541) 2.843 19.550 ( -0.920 4.676 0.744) 4.823 19.648 ( -1.222 0.246 1.406) 1.879 19.786 ( 2.168 1.444 -4.003) 4.776 19.822 ( 1.322 0.314 -3.097) 3.382 20.167 ( 2.695 -4.753 0.991) 5.553 20.223 ( -3.992 -5.852 1.891) 7.331 20.657 ( -0.297 1.771 -3.150) 3.626 20.756 ( 0.859 -3.540 -5.086) 6.256 21.168 ( 3.765 0.476 2.392) 4.486 21.188 ( 1.408 -1.731 2.310) 3.212 21.430 ( -0.836 1.075 -2.029) 2.444 21.458 ( -9.755 -0.645 -3.259) 10.306 21.685 ( -1.375 1.865 0.903) 2.487 21.718 ( -0.600 0.729 0.259) 0.979 21.780 ( 0.533 0.528 1.370) 1.561 21.830 ( 3.058 -0.719 0.444) 3.173 21.909 ( 0.275 -0.391 -1.017) 1.123 21.920 ( 2.400 -1.166 -1.335) 2.983 22.130 ( 1.302 -0.225 -0.191) 1.335 22.141 ( -2.167 -0.949 -0.056) 2.366 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 4.096 2.232 14.300) 15.042 1.323 ( 2.332 -12.548 4.352) 13.484 1.491 ( 11.546 15.592 20.355) 28.120 1.716 ( 3.300 2.794 -0.069) 4.325 1.812 ( -3.747 6.080 6.418) 9.602 1.993 ( 2.101 -6.980 6.013) 9.450 2.093 ( -1.431 1.239 11.798) 11.948 2.134 ( -3.470 0.435 0.604) 3.549 2.416 ( 4.794 -4.979 -0.915) 6.972 2.510 ( 5.704 9.824 -4.783) 12.326 2.575 ( -2.640 -4.343 3.324) 6.073 2.714 ( 0.883 2.070 3.254) 3.957 2.752 ( -0.415 9.101 -0.991) 9.164 2.829 ( 0.166 1.959 -0.491) 2.027 2.898 ( -0.274 -0.921 -1.532) 1.808 2.966 ( -4.476 -2.136 1.768) 5.265 3.018 ( -2.476 2.622 1.469) 3.895 3.185 ( -4.641 4.634 -2.801) 7.131 3.290 ( -6.226 -8.585 -4.894) 11.679 3.372 ( -0.329 3.168 -1.827) 3.672 3.401 ( -2.420 -1.485 2.901) 4.059 3.536 ( -6.277 -0.722 2.362) 6.745 3.551 ( -0.034 1.933 -0.331) 1.962 3.632 ( 2.268 -3.199 0.255) 3.930 3.717 ( -2.276 0.844 0.543) 2.487 3.791 ( 2.862 -2.399 -9.255) 9.980 3.839 ( -2.448 -3.899 0.144) 4.606 3.884 ( -3.065 -4.222 -2.038) 5.601 3.934 ( -0.093 -0.479 -2.134) 2.189 3.976 ( 4.876 -5.950 -5.857) 9.668 4.060 ( 0.283 1.771 0.973) 2.041 4.150 ( 1.140 10.854 1.800) 11.061 4.196 ( 2.530 4.453 0.196) 5.125 4.319 ( -3.657 -2.296 -0.110) 4.320 4.347 ( 3.427 -0.763 -9.182) 9.830 4.443 ( 5.694 -1.119 2.717) 6.408 4.528 ( 10.586 2.185 -7.596) 13.211 4.603 ( 2.216 -6.467 -0.996) 6.908 4.696 ( -1.362 -6.734 -1.188) 6.972 4.803 ( 4.273 -11.605 -3.990) 12.994 4.846 ( -1.186 -2.798 -2.100) 3.694 4.902 ( -1.748 -4.922 4.184) 6.692 5.040 ( 1.931 1.260 4.799) 5.324 5.076 ( -1.518 -7.588 5.690) 9.605 5.171 ( 4.276 -4.110 -4.370) 7.367 5.315 ( -5.049 2.038 -1.592) 5.672 5.356 ( 3.143 1.721 6.625) 7.532 5.443 ( 2.882 -1.290 2.520) 4.040 5.528 ( 0.256 -6.448 5.663) 8.586 5.560 ( -0.948 -2.484 -3.077) 4.067 5.608 ( 2.746 -1.872 -2.456) 4.133 5.684 ( -3.309 -6.396 -1.647) 7.388 5.857 ( 0.805 3.803 -1.319) 4.105 5.916 ( -0.157 -1.037 2.804) 2.994 5.982 ( 2.842 0.418 -1.273) 3.142 6.032 ( -3.797 1.351 0.167) 4.033 6.038 ( -5.699 -3.573 3.370) 7.523 6.129 ( 3.797 -0.723 -0.032) 3.865 6.271 ( -3.996 1.374 -10.910) 11.700 6.342 ( -0.908 -2.412 -9.453) 9.798 6.417 ( -1.298 6.179 4.613) 7.819 6.439 ( -2.343 -3.371 -3.459) 5.368 6.600 ( -3.020 1.216 -1.511) 3.589 6.683 ( -8.185 4.999 -0.194) 9.593 6.714 ( -12.071 0.506 -4.311) 12.828 6.868 ( 1.891 -4.945 -4.966) 7.259 6.924 ( 3.078 0.384 7.816) 8.409 7.036 ( -4.653 -6.658 5.108) 9.595 7.101 ( 2.649 -4.551 -7.357) 9.047 7.178 ( -1.138 5.640 -3.146) 6.557 7.240 ( -0.383 -4.923 5.271) 7.222 7.307 ( 0.214 -6.420 2.834) 7.021 7.358 ( -2.010 0.926 2.023) 2.998 7.488 ( -0.589 -2.185 6.716) 7.087 7.539 ( 3.230 -2.215 -2.616) 4.710 7.570 ( -8.909 -1.090 2.849) 9.417 7.758 ( -0.118 10.865 4.825) 11.889 7.919 ( 5.003 4.148 -0.255) 6.505 7.968 ( 0.173 2.575 -2.328) 3.475 8.026 ( 2.447 -1.974 -13.920) 14.270 8.104 ( 5.797 -1.367 0.871) 6.019 8.271 ( 8.260 -4.966 -8.158) 12.627 8.292 ( 0.367 9.887 8.495) 13.041 8.382 ( 0.265 7.016 0.394) 7.032 8.446 ( -6.840 2.280 3.933) 8.213 8.549 ( -4.006 4.665 0.008) 6.149 8.602 ( 0.274 4.234 4.524) 6.203 8.626 ( -1.881 3.551 1.601) 4.325 8.682 ( 6.914 0.852 2.308) 7.339 8.790 ( -1.331 -0.038 5.137) 5.307 8.891 ( -2.996 0.713 -1.988) 3.665 9.054 ( 0.528 -0.337 -4.795) 4.836 9.272 ( 4.570 5.157 0.107) 6.891 9.303 ( 9.732 -2.262 4.176) 10.829 9.430 ( 4.723 1.257 2.019) 5.288 9.563 ( 0.674 -2.278 -0.771) 2.498 9.747 ( -0.873 -2.487 -6.898) 7.384 9.969 ( 4.007 -7.817 1.341) 8.886 10.126 ( 6.858 10.080 -2.752) 12.499 10.323 ( 5.519 -2.247 2.271) 6.377 10.788 ( 0.814 4.080 -1.105) 4.304 10.828 ( -2.169 -0.240 0.617) 2.268 10.888 ( -2.584 2.558 2.851) 4.620 11.017 ( -1.022 -2.628 -3.356) 4.383 13.948 ( -1.022 5.436 0.053) 5.532 14.025 ( -2.458 2.645 -2.333) 4.299 14.061 ( -2.844 1.952 2.384) 4.193 14.135 ( 0.086 1.380 -0.226) 1.401 14.270 ( -2.314 -1.051 0.592) 2.610 14.301 ( -3.008 -1.753 1.434) 3.765 14.398 ( 2.849 0.886 -2.299) 3.767 14.407 ( 0.972 0.251 -0.752) 1.254 14.553 ( -1.090 2.031 2.452) 3.365 14.638 ( 0.982 -1.294 1.102) 1.962 14.761 ( -1.002 1.817 3.361) 3.950 14.816 ( -1.721 -0.829 2.229) 2.936 15.000 ( 0.129 0.851 -1.942) 2.125 15.059 ( 4.078 -4.125 3.722) 6.892 15.222 ( 2.379 0.368 -4.157) 4.803 15.229 ( 0.542 -0.069 -1.008) 1.146 15.349 ( 2.618 0.124 -1.539) 3.040 15.375 ( -4.287 -0.190 -2.831) 5.141 15.442 ( -4.304 -2.532 -5.013) 7.076 15.464 ( 2.449 -3.185 -0.888) 4.115 15.786 ( -1.716 4.008 1.715) 4.685 15.916 ( -2.497 -0.046 0.266) 2.512 16.009 ( -3.456 5.208 0.573) 6.277 16.220 ( -7.999 -3.354 2.593) 9.053 16.373 ( 6.118 2.190 0.864) 6.556 16.567 ( 5.740 -5.431 4.657) 9.172 16.692 ( 7.915 5.265 0.455) 9.517 16.900 ( 5.230 -4.911 -3.866) 8.149 17.286 ( -6.630 4.136 -1.569) 7.970 17.463 ( -5.106 -3.910 4.094) 7.624 17.613 ( 3.832 3.396 -3.619) 6.270 17.711 ( -1.595 -1.783 -1.005) 2.595 17.824 ( -0.086 -0.319 1.757) 1.788 17.877 ( -3.595 -3.470 5.353) 7.322 18.019 ( -0.246 -1.582 -1.049) 1.915 18.024 ( -0.153 -0.193 -2.098) 2.113 18.316 ( -1.484 1.645 4.218) 4.764 18.387 ( -2.569 -1.309 3.051) 4.197 18.524 ( 1.404 7.815 3.995) 8.889 18.712 ( 0.066 0.828 -0.844) 1.184 18.734 ( 1.358 -0.380 -0.645) 1.551 18.799 ( 4.710 -5.365 1.304) 7.257 19.148 ( -3.688 1.150 1.501) 4.145 19.179 ( -3.603 -0.063 -2.794) 4.560 19.524 ( -0.643 3.750 -1.068) 3.952 19.606 ( -2.580 0.305 -0.761) 2.707 19.838 ( 0.398 1.717 -1.300) 2.190 19.872 ( 4.082 0.229 -0.108) 4.090 20.141 ( -1.624 -1.038 0.070) 1.928 20.194 ( -0.943 -5.719 0.747) 5.844 20.598 ( -4.170 2.074 -1.255) 4.824 20.720 ( -4.009 -4.650 -4.136) 7.403 21.173 ( -1.588 1.627 -0.466) 2.321 21.209 ( -6.450 3.977 1.626) 7.749 21.263 ( -1.423 -1.550 -0.159) 2.111 21.349 ( -4.343 -2.819 0.543) 5.206 21.680 ( 1.346 1.337 1.320) 2.311 21.731 ( 1.058 -0.613 1.518) 1.949 21.789 ( 0.368 1.380 -0.608) 1.552 21.883 ( -1.181 -1.999 -0.894) 2.487 21.907 ( 2.476 1.274 -0.838) 2.908 21.961 ( 3.536 -2.552 -1.075) 4.492 22.203 ( 5.863 0.862 0.516) 5.949 22.272 ( 8.137 -2.669 -2.147) 8.829 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 9.123 -8.608 1.516) 12.634 1.388 ( 2.069 -14.773 -2.084) 15.062 1.710 ( 3.249 12.361 1.690) 12.892 1.801 ( 1.113 -5.902 7.351) 9.492 1.834 ( 8.517 -3.976 -1.939) 9.598 1.929 ( -6.366 1.788 2.528) 7.079 2.013 ( 2.222 0.677 5.915) 6.355 2.205 ( 2.235 -1.946 3.704) 4.744 2.436 ( -6.489 -0.263 -3.085) 7.189 2.480 ( -1.381 -3.179 5.202) 6.251 2.547 ( -4.781 3.746 11.390) 12.908 2.678 ( -6.636 -0.745 3.347) 7.469 2.776 ( 0.435 -13.455 -0.118) 13.463 2.826 ( 9.333 7.597 -1.780) 12.165 2.963 ( 0.294 0.393 7.129) 7.146 2.977 ( 3.049 4.307 1.362) 5.450 3.058 ( 3.617 4.781 2.122) 6.359 3.137 ( 1.506 5.728 -5.473) 8.064 3.155 ( -5.761 -9.791 -1.268) 11.431 3.288 ( -3.287 4.882 -3.048) 6.628 3.306 ( -5.861 -4.149 1.579) 7.353 3.431 ( -2.865 6.766 5.287) 9.052 3.556 ( -3.259 -3.726 0.976) 5.046 3.603 ( 0.330 10.189 -1.740) 10.342 3.720 ( -3.470 -10.642 3.788) 11.817 3.758 ( 3.158 0.684 -2.606) 4.151 3.791 ( -5.954 2.211 -1.545) 6.537 3.833 ( -0.984 2.354 -6.293) 6.791 3.907 ( 0.564 2.892 3.114) 4.288 4.061 ( 3.358 -7.587 -7.466) 11.161 4.113 ( 1.746 -0.178 3.475) 3.893 4.198 ( 5.034 3.084 -2.859) 6.560 4.287 ( 2.682 7.081 -1.090) 7.650 4.327 ( 3.847 -6.894 3.084) 8.476 4.397 ( 1.710 -2.226 -4.704) 5.478 4.486 ( -1.620 -6.101 -0.304) 6.320 4.582 ( -6.727 -5.348 -4.039) 9.496 4.658 ( 1.366 -7.899 2.355) 8.355 4.766 ( 9.286 3.449 -3.594) 10.538 4.824 ( -2.020 -3.412 3.453) 5.258 4.831 ( -0.373 -1.179 1.543) 1.977 4.934 ( 6.825 2.503 -4.251) 8.422 5.071 ( 3.379 -1.517 -5.076) 6.284 5.133 ( 1.950 1.072 7.548) 7.869 5.201 ( -3.489 3.495 -2.238) 5.422 5.305 ( 4.042 -4.505 -6.049) 8.557 5.343 ( -0.756 1.206 -5.301) 5.489 5.439 ( -2.242 -1.790 4.185) 5.074 5.531 ( -2.710 1.223 -3.321) 4.457 5.584 ( 1.540 -6.385 -1.219) 6.680 5.631 ( 5.649 -0.277 2.188) 6.064 5.750 ( 3.620 -4.841 1.732) 6.288 5.815 ( -4.918 -3.474 -4.663) 7.616 5.912 ( -1.750 -0.315 2.905) 3.406 5.920 ( -0.597 4.126 -5.581) 6.966 5.959 ( 1.914 -1.449 2.160) 3.229 6.090 ( 0.663 0.544 -0.114) 0.866 6.145 ( -3.144 -6.632 -1.207) 7.438 6.186 ( -1.291 -6.557 -6.052) 9.017 6.273 ( -6.226 1.263 -5.195) 8.206 6.377 ( -6.986 2.655 3.019) 8.061 6.394 ( 2.285 1.658 1.988) 3.453 6.493 ( -2.606 -2.206 1.188) 3.615 6.522 ( 2.249 3.158 -1.734) 4.247 6.667 ( 2.797 -1.978 -4.655) 5.780 6.813 ( -6.237 -9.334 5.183) 12.364 6.978 ( 3.041 -5.438 0.754) 6.275 7.055 ( 0.761 -0.351 9.791) 9.827 7.097 ( -3.495 -0.756 -1.843) 4.023 7.149 ( -6.657 -2.522 -3.485) 7.926 7.169 ( -0.085 2.571 2.104) 3.323 7.301 ( 1.615 3.262 -1.103) 3.804 7.410 ( -4.632 -1.281 6.505) 8.088 7.473 ( 3.610 -1.238 -4.294) 5.745 7.510 ( 6.435 -7.646 6.512) 11.928 7.591 ( 0.380 -7.447 -0.981) 7.521 7.784 ( 2.224 6.784 -0.025) 7.139 7.855 ( -4.328 -0.230 2.731) 5.123 7.967 ( 0.249 6.815 -2.064) 7.125 8.095 ( -3.385 4.837 -2.639) 6.467 8.177 ( -4.589 -0.372 0.719) 4.660 8.241 ( 0.624 4.407 8.626) 9.707 8.274 ( -2.451 3.742 3.600) 5.742 8.402 ( -0.461 3.560 0.647) 3.648 8.457 ( 4.231 2.369 -7.532) 8.958 8.490 ( -2.816 1.185 4.834) 5.719 8.535 ( -1.289 4.889 -9.614) 10.863 8.616 ( 0.614 0.297 2.398) 2.493 8.768 ( 0.760 1.674 -0.151) 1.844 8.831 ( -1.899 2.390 0.016) 3.053 8.838 ( 4.594 0.999 1.039) 4.815 9.024 ( -2.093 -3.668 -1.707) 4.555 9.294 ( -0.069 6.504 -2.508) 6.971 9.502 ( 3.876 7.879 2.922) 9.254 9.592 ( 0.879 -7.169 -0.192) 7.225 9.662 ( 10.710 0.346 3.011) 11.130 9.771 ( 8.551 3.185 -9.446) 13.134 10.060 ( 6.154 -5.651 1.368) 8.466 10.299 ( 5.592 3.751 -5.292) 8.564 10.376 ( 0.106 1.704 0.898) 1.929 10.729 ( -5.618 4.484 3.612) 8.044 10.802 ( -2.375 -2.657 1.620) 3.915 10.872 ( 1.861 0.599 1.971) 2.776 11.003 ( 0.519 -4.040 -2.311) 4.683 13.919 ( -2.010 3.463 -0.067) 4.004 13.954 ( -2.390 1.529 -0.906) 2.978 14.022 ( -1.494 4.262 0.583) 4.554 14.122 ( -1.921 3.498 -0.625) 4.039 14.210 ( -1.641 -1.185 -0.718) 2.147 14.266 ( -0.852 -4.065 -0.764) 4.223 14.415 ( 0.995 0.959 -0.650) 1.527 14.450 ( 1.745 0.015 -2.011) 2.663 14.559 ( 1.059 2.588 3.921) 4.815 14.670 ( 1.073 -2.669 1.521) 3.254 14.735 ( -2.957 1.534 3.378) 4.745 14.757 ( -2.363 0.092 1.795) 2.969 15.024 ( 1.894 4.553 -1.065) 5.045 15.168 ( 4.209 -4.110 4.731) 7.549 15.230 ( 0.364 0.244 -0.756) 0.874 15.262 ( -3.212 -0.233 -3.461) 4.728 15.293 ( -1.481 -1.142 -4.003) 4.419 15.321 ( 1.208 -4.462 -0.068) 4.623 15.432 ( 2.444 0.614 -2.954) 3.882 15.516 ( 1.840 -0.991 -1.362) 2.495 15.761 ( -0.582 3.344 0.131) 3.397 15.867 ( -1.713 0.616 0.851) 2.009 15.955 ( -2.552 6.033 1.312) 6.681 16.005 ( -9.824 2.779 0.558) 10.224 16.516 ( 4.618 -0.337 -1.188) 4.780 16.641 ( 2.398 -4.625 -1.937) 5.558 16.865 ( 7.339 3.953 3.546) 9.059 17.061 ( 7.133 -3.961 1.381) 8.275 17.154 ( -3.532 3.012 -2.343) 5.200 17.349 ( -5.427 -4.762 1.339) 7.343 17.589 ( -8.789 3.327 8.724) 12.823 17.635 ( -2.395 -0.100 -1.404) 2.778 17.806 ( -0.748 -1.254 2.489) 2.886 17.831 ( -0.845 -2.530 2.027) 3.350 18.012 ( 0.356 0.150 -3.270) 3.292 18.034 ( 1.044 -0.828 -4.127) 4.337 18.292 ( -1.183 2.347 4.111) 4.880 18.366 ( 0.112 -0.724 2.884) 2.976 18.589 ( 3.197 9.123 1.893) 9.851 18.709 ( 0.231 1.758 -1.327) 2.215 18.747 ( 0.299 -0.468 -0.536) 0.772 18.896 ( 2.772 -2.666 -0.424) 3.869 19.060 ( -4.417 0.337 1.670) 4.734 19.129 ( -0.163 -5.970 -4.167) 7.282 19.518 ( -0.200 1.363 -0.061) 1.379 19.562 ( -1.015 -0.311 -2.371) 2.597 19.815 ( -1.729 0.645 -0.250) 1.862 19.899 ( -1.565 -2.162 0.430) 2.703 20.175 ( 2.865 1.163 -2.489) 3.969 20.209 ( 4.507 -0.510 3.496) 5.727 20.479 ( -6.995 1.527 -0.594) 7.184 20.607 ( -4.803 -5.130 -1.867) 7.271 21.109 ( -1.522 1.790 -1.153) 2.617 21.163 ( -2.201 0.134 1.040) 2.438 21.201 ( -1.774 0.119 -0.983) 2.032 21.280 ( -2.953 -2.074 1.729) 4.001 21.721 ( 1.197 -0.353 1.224) 1.748 21.749 ( 0.212 -1.190 1.285) 1.764 21.823 ( 2.672 0.336 1.071) 2.899 21.860 ( -0.371 -1.209 -0.277) 1.295 21.967 ( 2.640 1.474 -1.692) 3.464 22.033 ( 2.897 -2.482 -1.653) 4.157 22.314 ( 3.857 1.300 0.560) 4.109 22.395 ( 3.862 -2.659 -2.246) 5.199 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.159 -11.136 -11.686) 16.143 1.341 ( -8.883 -17.567 -4.116) 20.111 1.686 ( -4.485 5.002 2.704) 7.242 1.767 ( 1.322 -3.226 -1.077) 3.649 1.935 ( 3.348 0.530 -0.188) 3.395 1.983 ( 2.121 -1.655 0.789) 2.804 2.093 ( 3.268 -6.513 -1.008) 7.356 2.236 ( -0.751 -2.596 2.378) 3.600 2.353 ( 4.038 4.642 11.252) 12.824 2.420 ( -6.003 0.493 9.758) 11.467 2.524 ( 1.395 0.509 2.970) 3.321 2.621 ( -0.164 0.803 3.199) 3.302 2.763 ( -2.988 -13.015 2.792) 13.643 2.899 ( -3.610 -6.200 6.094) 9.413 2.966 ( -0.131 1.443 -2.364) 2.773 2.990 ( -4.997 4.617 8.251) 10.694 3.025 ( -0.648 2.578 -2.046) 3.355 3.140 ( 7.746 2.738 -1.137) 8.294 3.207 ( 0.159 -1.889 -1.821) 2.629 3.251 ( 2.234 2.505 1.448) 3.656 3.298 ( 2.171 0.316 -0.713) 2.307 3.441 ( -0.057 4.906 4.250) 6.491 3.483 ( -0.753 -1.619 2.301) 2.913 3.568 ( -4.614 10.874 -0.720) 11.834 3.641 ( -1.030 -7.516 -1.238) 7.686 3.748 ( 1.271 3.602 2.210) 4.413 3.800 ( 0.559 1.825 0.407) 1.952 3.842 ( 3.807 6.061 -6.041) 9.366 3.979 ( 4.721 1.547 -1.731) 5.261 4.072 ( -0.519 -6.652 -3.853) 7.705 4.122 ( -1.202 -5.681 3.033) 6.551 4.237 ( -7.377 4.768 5.506) 10.367 4.284 ( 1.394 1.694 -1.064) 2.439 4.356 ( 0.246 -11.277 -6.752) 13.146 4.410 ( -2.262 -2.689 -4.690) 5.860 4.418 ( -5.446 -2.720 1.438) 6.255 4.533 ( 4.084 -7.179 -1.978) 8.493 4.666 ( 0.609 5.348 2.139) 5.792 4.755 ( -1.107 -1.733 -1.855) 2.770 4.802 ( -0.867 -6.065 4.638) 7.684 4.948 ( -0.121 7.183 0.604) 7.209 4.979 ( -4.899 7.133 -4.892) 9.941 5.078 ( 5.249 4.869 -2.266) 7.510 5.167 ( 1.883 3.596 -0.032) 4.059 5.212 ( 1.891 -4.726 -5.872) 7.771 5.297 ( 1.201 2.052 0.562) 2.443 5.391 ( 0.874 -8.449 -4.696) 9.706 5.467 ( 4.138 -5.348 -8.161) 10.599 5.563 ( 4.739 1.587 0.887) 5.076 5.594 ( -2.137 -2.943 -2.688) 4.522 5.666 ( -1.148 -0.608 -1.875) 2.281 5.689 ( -4.540 -2.247 -0.532) 5.094 5.782 ( 0.138 1.306 -2.156) 2.524 5.853 ( -4.123 -5.588 -1.048) 7.023 5.952 ( 1.689 -4.482 -4.917) 6.864 5.971 ( -1.107 -2.308 -5.348) 5.929 6.045 ( 0.764 -0.945 0.352) 1.266 6.066 ( -2.433 -3.230 5.619) 6.923 6.204 ( 1.548 -3.984 1.242) 4.451 6.237 ( 1.298 -5.651 1.325) 5.948 6.316 ( 3.404 4.306 -0.192) 5.492 6.502 ( 2.592 -2.423 -0.065) 3.549 6.538 ( 5.220 6.900 12.602) 15.286 6.630 ( 8.867 -2.044 -5.868) 10.827 6.682 ( -1.766 -2.626 4.599) 5.583 6.770 ( 1.903 -7.243 -0.511) 7.506 6.853 ( -10.894 -3.455 -3.160) 11.858 7.001 ( -4.544 -6.912 -0.200) 8.274 7.033 ( -1.213 2.850 -3.848) 4.940 7.134 ( 2.838 1.229 14.419) 14.747 7.214 ( -0.763 2.912 7.042) 7.659 7.329 ( 1.661 0.796 0.063) 1.843 7.383 ( 2.351 1.573 -3.600) 4.578 7.522 ( 2.653 -9.708 -6.631) 12.052 7.555 ( 0.869 -1.394 -0.635) 1.761 7.704 ( 0.798 -1.319 6.503) 6.683 7.745 ( -0.201 -0.887 -1.607) 1.847 7.838 ( -0.717 4.349 3.419) 5.578 7.950 ( -3.424 -2.184 8.026) 8.995 8.014 ( -4.427 0.398 -2.184) 4.952 8.060 ( 1.218 7.699 0.215) 7.797 8.214 ( -1.928 2.310 3.711) 4.777 8.239 ( -5.676 2.866 1.518) 6.538 8.318 ( -4.729 5.652 2.574) 7.806 8.454 ( -2.776 2.755 -11.039) 11.711 8.505 ( 3.942 3.707 0.408) 5.427 8.532 ( 1.474 7.490 -3.804) 8.529 8.721 ( 2.077 -3.369 -4.337) 5.871 8.760 ( -1.916 0.255 1.548) 2.477 8.773 ( 1.814 1.101 -3.441) 4.043 8.907 ( -0.266 4.268 1.593) 4.563 9.020 ( 3.423 -5.087 0.543) 6.156 9.297 ( 1.002 5.878 -2.528) 6.476 9.535 ( -3.943 3.145 3.222) 5.985 9.555 ( 1.184 -0.978 -3.621) 3.933 9.762 ( -0.191 0.235 4.751) 4.761 10.012 ( 9.689 4.686 -3.861) 11.434 10.146 ( -6.415 -0.727 -5.018) 8.177 10.296 ( 6.955 2.813 -0.374) 7.511 10.433 ( 0.740 1.109 -2.980) 3.264 10.589 ( -6.752 2.318 2.860) 7.690 10.768 ( -1.049 -3.314 3.928) 5.246 10.880 ( -1.581 -0.155 1.254) 2.024 11.063 ( 4.288 -5.772 0.794) 7.234 13.885 ( -0.394 2.384 0.001) 2.416 13.925 ( -0.577 -0.571 -0.999) 1.287 14.004 ( -0.345 7.150 -0.152) 7.160 14.081 ( -0.732 3.796 -2.516) 4.612 14.200 ( 0.131 -1.423 0.501) 1.514 14.252 ( -0.528 -4.204 -0.861) 4.324 14.451 ( 2.283 0.185 -0.234) 2.302 14.482 ( 1.971 -0.853 -2.079) 2.989 14.587 ( -0.229 4.203 4.592) 6.230 14.650 ( -1.960 -0.302 1.181) 2.309 14.704 ( -0.003 -1.489 2.316) 2.754 14.727 ( -0.965 -0.875 1.780) 2.206 15.037 ( -1.381 5.171 -2.272) 5.815 15.161 ( -3.161 -1.605 -1.206) 3.745 15.201 ( -0.255 -0.142 0.928) 0.973 15.247 ( -0.644 -2.304 -0.980) 2.585 15.320 ( 5.396 -0.429 1.724) 5.681 15.404 ( 2.137 -3.123 0.928) 3.896 15.484 ( 3.923 1.068 -0.696) 4.125 15.534 ( 0.168 -0.204 -0.277) 0.383 15.751 ( -2.225 1.792 -3.669) 4.650 15.789 ( -3.265 0.461 -1.729) 3.723 15.892 ( -1.854 5.781 1.789) 6.329 15.935 ( 1.950 4.160 0.653) 4.640 16.566 ( -0.253 3.870 -2.109) 4.415 16.619 ( -3.154 2.145 -3.379) 5.095 16.993 ( 3.385 -0.855 2.917) 4.549 17.052 ( -7.225 -5.107 0.108) 8.848 17.178 ( 4.931 -0.696 -0.318) 4.990 17.305 ( -1.031 -3.703 1.690) 4.199 17.438 ( -5.008 5.731 8.323) 11.278 17.595 ( 0.517 -1.824 1.211) 2.249 17.798 ( -0.663 -1.185 0.329) 1.397 17.824 ( -0.286 -2.816 0.926) 2.978 18.035 ( 2.304 0.232 -2.909) 3.719 18.051 ( 1.296 -0.583 -3.522) 3.798 18.284 ( -0.374 3.220 4.364) 5.436 18.384 ( 0.644 -1.109 3.255) 3.498 18.633 ( 0.682 8.561 0.476) 8.601 18.723 ( 0.671 2.336 0.097) 2.432 18.747 ( 0.006 -0.236 -0.811) 0.845 18.921 ( 1.164 1.310 -2.681) 3.203 18.979 ( -3.545 -0.603 0.796) 3.683 19.151 ( 2.279 -8.728 -2.206) 9.286 19.500 ( -1.254 1.085 0.112) 1.662 19.571 ( 2.223 -2.910 -1.523) 3.966 19.793 ( -0.086 0.147 -0.393) 0.429 19.858 ( -1.477 -2.328 -1.068) 2.956 20.213 ( -0.636 2.220 1.834) 2.950 20.338 ( -3.856 3.305 -0.480) 5.102 20.351 ( 6.213 -1.630 1.617) 6.624 20.538 ( -0.657 -5.103 -2.005) 5.522 21.089 ( -0.671 -0.092 -0.080) 0.682 21.135 ( 0.639 -2.033 -0.944) 2.330 21.204 ( 1.552 1.234 0.842) 2.154 21.237 ( -1.092 -0.016 0.325) 1.139 21.727 ( -0.568 -0.815 0.455) 1.093 21.743 ( -0.718 -1.443 0.037) 1.612 21.848 ( -0.167 0.507 1.232) 1.343 21.885 ( 1.431 -1.564 2.424) 3.221 21.996 ( 0.181 1.533 -1.904) 2.451 22.062 ( -0.012 -2.280 -2.051) 3.067 22.354 ( -0.226 1.436 0.383) 1.503 22.437 ( 0.597 -2.587 -1.747) 3.178 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -14.339 -4.258 -3.506) 15.363 1.140 ( -2.506 -1.075 -7.428) 7.912 1.502 ( -10.112 -1.450 2.921) 10.625 1.888 ( 7.574 -6.090 0.635) 9.740 1.922 ( -5.040 -2.548 1.732) 5.907 2.066 ( -0.371 8.630 7.825) 11.655 2.101 ( -4.853 -10.806 9.888) 15.430 2.215 ( 1.998 0.244 3.210) 3.789 2.380 ( -0.477 1.410 5.455) 5.654 2.434 ( -0.150 -2.992 2.384) 3.829 2.493 ( -1.772 3.005 5.589) 6.589 2.678 ( 3.483 4.524 6.194) 8.424 2.751 ( 1.419 -11.617 -4.595) 12.573 2.881 ( 1.916 -5.057 2.338) 5.892 2.897 ( -1.469 2.301 -3.920) 4.777 2.953 ( 1.279 1.317 5.700) 5.988 3.031 ( -2.011 6.945 -2.546) 7.665 3.137 ( -2.494 -0.757 -0.302) 2.623 3.261 ( -0.970 5.900 -1.977) 6.297 3.293 ( 3.169 -2.669 0.267) 4.152 3.390 ( 0.949 4.520 4.194) 6.239 3.435 ( 4.706 0.955 1.349) 4.988 3.508 ( 4.478 -0.469 2.113) 4.974 3.586 ( 4.417 1.705 -0.653) 4.779 3.671 ( 2.173 -2.750 -4.528) 5.726 3.766 ( 2.122 4.179 -7.903) 9.188 3.831 ( 1.245 -4.594 5.018) 6.916 3.912 ( 0.420 4.418 -6.008) 7.469 3.976 ( -6.371 0.773 2.056) 6.739 4.045 ( -6.003 -7.227 5.100) 10.690 4.056 ( 0.883 2.058 1.929) 2.956 4.145 ( -0.441 -7.727 -0.082) 7.740 4.255 ( -0.898 0.638 -5.461) 5.571 4.313 ( -2.282 -1.224 -8.112) 8.515 4.380 ( 0.658 -5.553 4.468) 7.158 4.390 ( 2.518 -2.467 -8.201) 8.927 4.540 ( -3.293 -3.951 4.734) 6.991 4.643 ( -10.310 7.015 -1.215) 12.529 4.687 ( 2.228 9.281 -6.626) 11.620 4.816 ( 1.244 -3.280 0.832) 3.606 4.906 ( -0.606 -2.118 1.683) 2.773 4.957 ( -0.020 2.821 4.521) 5.328 5.146 ( -2.409 -0.714 -3.272) 4.126 5.156 ( 1.073 0.732 -0.403) 1.360 5.270 ( 2.921 -4.033 -7.812) 9.264 5.333 ( -1.796 -3.809 3.148) 5.258 5.378 ( 2.371 -3.067 -5.024) 6.346 5.427 ( -7.931 -3.839 0.035) 8.812 5.504 ( -4.380 -6.591 -6.579) 10.292 5.564 ( 0.482 -6.162 -0.091) 6.182 5.619 ( -0.244 -0.981 -4.359) 4.474 5.702 ( 2.515 -2.330 3.195) 4.686 5.836 ( 3.639 3.148 8.289) 9.584 5.912 ( 1.073 -8.824 -0.495) 8.902 5.916 ( 3.512 3.727 -1.545) 5.349 5.975 ( 0.052 -5.035 2.888) 5.804 6.030 ( -1.370 -1.925 -1.611) 2.860 6.094 ( 4.213 -2.136 -5.442) 7.206 6.234 ( -0.536 -5.479 2.421) 6.015 6.287 ( 4.010 0.365 -4.792) 6.259 6.355 ( -1.193 0.938 6.416) 6.593 6.584 ( -3.761 1.071 -7.501) 8.459 6.618 ( 3.381 5.994 4.310) 8.120 6.639 ( -1.926 -0.226 5.337) 5.678 6.748 ( 7.700 -1.399 -7.215) 10.644 6.763 ( 4.873 -5.593 -1.532) 7.575 6.888 ( 4.963 -3.502 -9.097) 10.938 6.923 ( -0.346 -2.201 7.065) 7.408 7.045 ( 3.753 1.863 0.330) 4.203 7.208 ( 1.791 2.134 6.165) 6.766 7.225 ( 1.437 1.129 8.116) 8.319 7.369 ( 3.761 -2.531 11.667) 12.517 7.423 ( -3.573 -3.257 -1.538) 5.073 7.511 ( -2.753 -4.601 -2.442) 5.891 7.590 ( 1.092 6.041 -4.871) 7.837 7.630 ( -0.876 0.677 1.405) 1.789 7.758 ( -4.010 5.450 6.268) 9.224 7.860 ( 2.003 2.869 -2.476) 4.286 7.879 ( -2.481 -1.906 1.221) 3.358 7.947 ( -0.180 -3.060 1.469) 3.399 8.074 ( -5.461 4.801 -5.100) 8.882 8.177 ( 6.615 3.548 1.791) 7.717 8.240 ( 0.949 2.117 4.461) 5.028 8.270 ( -1.501 -1.018 -5.621) 5.906 8.364 ( -1.840 2.251 -7.338) 7.893 8.478 ( -3.752 4.974 -0.816) 6.283 8.611 ( 3.372 3.961 0.651) 5.243 8.653 ( -4.464 3.934 3.191) 6.751 8.731 ( -0.154 2.220 -2.539) 3.376 8.845 ( 0.127 -2.075 -1.951) 2.851 8.895 ( 0.837 4.211 2.972) 5.222 9.126 ( 4.811 -4.841 -1.087) 6.911 9.316 ( 0.656 3.490 -2.112) 4.131 9.433 ( -5.174 0.190 0.475) 5.199 9.564 ( -0.566 0.977 -0.470) 1.223 9.692 ( -8.060 -1.655 5.953) 10.156 9.955 ( -5.522 7.381 -7.379) 11.808 10.056 ( -6.376 0.815 1.999) 6.731 10.310 ( -6.226 2.682 -2.302) 7.159 10.484 ( 5.484 1.322 -2.054) 6.003 10.583 ( 4.178 -4.445 -1.486) 6.279 10.698 ( -6.084 -10.402 6.266) 13.582 10.888 ( 2.368 6.737 0.066) 7.141 11.129 ( 1.349 -5.196 0.841) 5.434 13.915 ( 2.844 1.624 0.025) 3.275 13.930 ( 1.738 0.493 -1.030) 2.079 14.002 ( 0.389 6.824 -0.759) 6.877 14.092 ( 1.906 3.196 -1.986) 4.218 14.205 ( 0.270 -1.087 0.347) 1.173 14.236 ( -0.948 -3.252 0.258) 3.398 14.488 ( 0.966 -0.400 -0.733) 1.277 14.520 ( 0.568 -1.426 -0.824) 1.742 14.563 ( -0.983 2.263 2.659) 3.627 14.626 ( -1.317 2.263 0.851) 2.753 14.694 ( 0.025 -1.408 2.493) 2.863 14.782 ( 4.854 -2.952 3.998) 6.947 14.968 ( -3.897 5.307 -2.150) 6.926 15.110 ( -1.473 -2.181 -0.310) 2.651 15.194 ( -0.901 0.915 -1.771) 2.187 15.247 ( -0.249 -1.237 -0.060) 1.263 15.378 ( -1.256 1.952 -2.041) 3.091 15.424 ( 1.066 0.300 -1.284) 1.695 15.523 ( -0.726 0.533 1.570) 1.810 15.568 ( 2.945 -0.697 3.747) 4.816 15.731 ( 1.939 -0.529 0.516) 2.075 15.742 ( -0.516 -2.403 -6.803) 7.233 15.931 ( 4.928 6.654 1.017) 8.343 16.019 ( 5.837 3.901 1.008) 7.092 16.425 ( -8.393 2.772 -2.667) 9.233 16.595 ( -4.288 -0.218 -1.025) 4.414 16.890 ( -2.802 4.167 -2.478) 5.600 16.986 ( -5.812 2.503 5.632) 8.471 17.202 ( -5.746 -2.678 0.789) 6.388 17.342 ( 8.191 -7.223 -1.187) 10.985 17.432 ( 2.575 7.096 3.262) 8.223 17.667 ( 4.170 -3.673 1.792) 5.839 17.783 ( -0.495 -0.541 -0.575) 0.932 17.819 ( -0.272 -3.170 0.687) 3.255 18.070 ( 0.633 -0.150 -2.090) 2.189 18.080 ( 1.633 -0.860 -0.472) 1.905 18.287 ( -0.122 3.245 4.275) 5.369 18.394 ( -0.163 -1.342 3.134) 3.414 18.632 ( -1.061 7.791 2.313) 8.196 18.718 ( -0.576 0.430 -1.022) 1.249 18.740 ( -0.897 0.878 0.529) 1.362 18.902 ( -3.727 -3.002 0.469) 4.808 18.986 ( 5.584 4.095 -3.541) 7.778 19.206 ( 2.974 -6.292 -0.272) 6.965 19.487 ( 0.422 2.631 -1.134) 2.896 19.635 ( 3.565 -4.930 -0.819) 6.139 19.801 ( 0.072 -0.685 0.522) 0.864 19.835 ( -0.549 -1.680 -1.600) 2.384 20.129 ( -4.436 2.721 -0.679) 5.248 20.313 ( -1.173 -5.188 3.788) 6.530 20.469 ( 5.870 2.720 -1.802) 6.716 20.603 ( 5.849 -2.990 -1.846) 6.824 21.085 ( 0.115 1.268 -0.818) 1.514 21.171 ( 2.270 -2.658 -0.419) 3.520 21.241 ( 1.885 1.585 0.472) 2.507 21.279 ( 5.523 -0.311 1.778) 5.810 21.702 ( -1.322 -0.213 0.663) 1.494 21.737 ( 0.079 -1.335 0.909) 1.617 21.836 ( -1.208 0.970 1.365) 2.065 21.899 ( -0.360 -2.125 1.568) 2.665 21.963 ( -2.869 1.409 -1.969) 3.754 22.022 ( -3.403 -1.849 -2.415) 4.564 22.307 ( -4.131 1.568 0.224) 4.424 22.411 ( -3.070 -3.849 -1.824) 5.250 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -2.219 12.605 8.053) 15.122 1.120 ( -0.131 14.964 10.938) 18.536 1.380 ( -1.674 -11.379 7.139) 13.537 1.772 ( -7.182 -3.661 6.019) 10.060 1.871 ( -12.978 7.726 9.207) 17.689 1.996 ( -3.425 -0.800 12.023) 12.527 2.036 ( 1.575 -8.283 2.215) 8.718 2.260 ( -2.630 1.681 7.068) 7.726 2.409 ( 3.500 3.901 -1.786) 5.537 2.431 ( 1.779 6.024 -5.561) 8.389 2.527 ( 2.137 2.209 1.734) 3.529 2.667 ( -5.949 -6.755 -2.510) 9.344 2.813 ( 6.342 4.811 -0.507) 7.976 2.883 ( -2.460 -1.636 3.488) 4.571 2.934 ( 4.956 -1.379 -0.191) 5.148 3.038 ( 5.720 3.540 2.732) 7.261 3.071 ( 0.088 5.856 -4.052) 7.121 3.129 ( 4.213 -0.875 2.744) 5.104 3.201 ( -0.958 5.990 0.752) 6.112 3.330 ( -2.052 -2.836 1.355) 3.753 3.440 ( 6.705 4.414 -1.811) 8.230 3.536 ( 1.759 -3.046 0.190) 3.523 3.613 ( 1.251 -0.055 -6.636) 6.753 3.620 ( 0.132 -0.468 0.579) 0.756 3.686 ( -1.766 -4.510 -4.600) 6.680 3.775 ( 0.274 2.227 0.374) 2.275 3.836 ( -0.624 -3.612 -1.658) 4.023 3.870 ( 3.008 -4.512 -6.204) 8.240 3.947 ( -1.793 -5.206 1.968) 5.848 3.973 ( 5.400 1.185 -0.429) 5.545 4.064 ( -3.170 -5.113 3.708) 7.067 4.144 ( -2.664 -3.300 -6.124) 7.449 4.224 ( 1.569 -3.547 -5.479) 6.713 4.252 ( -1.776 4.901 -6.231) 8.125 4.358 ( -10.171 0.971 2.032) 10.417 4.450 ( 3.311 -2.304 2.176) 4.584 4.501 ( 3.545 -0.208 -3.262) 4.822 4.531 ( 2.113 0.852 2.641) 3.488 4.729 ( -5.732 -5.503 -2.230) 8.253 4.768 ( 3.936 0.859 -9.495) 10.314 4.850 ( -5.101 -2.870 -0.915) 5.924 4.966 ( -0.879 -0.791 9.385) 9.459 5.057 ( -9.418 -2.115 0.871) 9.691 5.113 ( -0.920 -3.739 -1.810) 4.255 5.254 ( -4.444 -5.233 0.379) 6.876 5.311 ( 4.146 -0.315 1.594) 4.453 5.354 ( 2.711 -0.899 -2.590) 3.855 5.395 ( -3.160 -8.398 -2.758) 9.388 5.496 ( 5.654 -7.968 5.640) 11.282 5.569 ( -2.248 -5.912 6.790) 9.280 5.629 ( 1.068 -1.202 -7.140) 7.319 5.704 ( -9.802 -5.008 -4.333) 11.829 5.836 ( 3.747 -2.531 1.616) 4.802 5.899 ( 0.050 2.668 3.124) 4.108 5.950 ( 2.346 -4.077 1.849) 5.054 6.036 ( 1.020 0.278 2.995) 3.177 6.146 ( 6.763 -0.145 2.993) 7.398 6.180 ( -4.921 1.607 0.927) 5.259 6.222 ( 5.622 -1.170 -1.903) 6.050 6.300 ( 3.386 2.385 -3.522) 5.436 6.387 ( 4.513 -1.508 -4.156) 6.318 6.506 ( -3.033 4.549 -4.985) 7.398 6.580 ( -2.998 0.740 2.908) 4.241 6.687 ( 1.393 -3.231 0.928) 3.639 6.774 ( 2.027 0.410 -10.157) 10.365 6.903 ( 1.474 4.261 -0.711) 4.564 6.956 ( 8.663 -4.239 -6.340) 11.542 7.084 ( 5.366 -1.709 -0.438) 5.649 7.153 ( 7.159 -0.648 8.550) 11.170 7.234 ( -1.070 1.210 0.615) 1.729 7.305 ( -3.179 2.032 5.026) 6.284 7.325 ( 2.015 -3.100 5.294) 6.458 7.379 ( -6.516 -5.667 -3.022) 9.149 7.459 ( 1.384 -4.595 5.444) 7.258 7.564 ( -0.294 10.094 2.450) 10.391 7.627 ( -1.459 3.195 1.960) 4.022 7.655 ( -4.626 6.434 -1.983) 8.169 7.825 ( -1.474 -0.739 3.769) 4.114 7.948 ( 2.958 1.779 -2.332) 4.166 7.983 ( 0.404 -0.775 -11.892) 11.925 8.035 ( 5.579 5.544 2.618) 8.289 8.129 ( -5.792 0.042 -10.500) 11.992 8.268 ( -2.778 -1.066 -4.513) 5.405 8.307 ( 4.771 6.841 3.681) 9.117 8.403 ( 6.941 -2.049 2.439) 7.637 8.459 ( 2.132 5.019 0.230) 5.457 8.560 ( -4.006 6.001 4.447) 8.476 8.678 ( 1.650 -2.959 5.726) 6.653 8.692 ( -3.512 5.285 -0.410) 6.359 8.777 ( -5.291 0.100 1.296) 5.448 8.951 ( 2.958 3.172 0.524) 4.369 9.132 ( -4.131 0.378 -2.004) 4.607 9.282 ( -4.234 -0.529 -1.984) 4.706 9.375 ( 0.021 -2.540 4.424) 5.102 9.482 ( -9.886 2.405 5.102) 11.382 9.555 ( -0.267 -2.360 -0.273) 2.391 9.889 ( -1.614 3.842 -5.962) 7.274 9.900 ( -5.685 -1.440 -1.184) 5.982 10.197 ( -3.165 0.859 -1.741) 3.713 10.362 ( -15.350 -12.728 6.451) 20.958 10.651 ( 5.537 3.677 -2.593) 7.134 10.746 ( 5.418 -1.344 -1.534) 5.789 10.932 ( 1.169 5.847 1.025) 6.050 11.121 ( -1.932 -3.451 -0.504) 3.987 13.949 ( 1.195 2.805 -0.335) 3.067 14.006 ( 1.914 5.374 1.225) 5.835 14.042 ( 4.886 0.526 -3.156) 5.840 14.149 ( 3.622 1.362 0.084) 3.870 14.209 ( -0.629 -0.904 0.049) 1.103 14.227 ( 1.331 -0.123 2.447) 2.789 14.470 ( -2.973 -0.775 -2.999) 4.294 14.486 ( -2.602 -2.364 0.129) 3.518 14.560 ( 0.210 0.447 1.211) 1.308 14.612 ( -0.163 -0.747 3.466) 3.550 14.744 ( 3.457 2.249 2.785) 4.976 14.856 ( -2.577 2.053 3.465) 4.781 14.927 ( 3.383 0.334 -0.752) 3.481 15.081 ( -1.699 -3.348 -0.157) 3.758 15.166 ( -0.894 3.093 -2.977) 4.385 15.233 ( 0.424 0.273 -0.710) 0.871 15.307 ( -3.468 1.436 -3.219) 4.945 15.443 ( 0.109 -0.677 -1.547) 1.692 15.505 ( -1.579 -1.441 -1.020) 2.369 15.589 ( -0.632 -4.916 -3.936) 6.330 15.770 ( 4.717 3.006 1.241) 5.730 15.814 ( 3.303 2.573 1.617) 4.488 16.045 ( 4.649 4.255 1.221) 6.419 16.195 ( 10.136 1.358 1.419) 10.325 16.289 ( -2.673 0.362 1.753) 3.217 16.401 ( -11.099 -4.159 -2.492) 12.112 16.805 ( -9.989 3.602 3.586) 11.207 16.941 ( 1.416 3.205 -0.547) 3.546 17.133 ( 3.100 6.312 -2.264) 7.388 17.464 ( 2.337 -1.072 2.362) 3.491 17.535 ( 6.090 0.018 -3.150) 6.856 17.733 ( 1.828 -3.642 -0.386) 4.093 17.784 ( 0.631 -0.737 0.567) 1.123 17.817 ( 0.156 -2.935 0.454) 2.974 18.059 ( -1.344 -0.127 -0.251) 1.373 18.089 ( -0.778 -1.506 0.303) 1.722 18.297 ( 0.522 2.765 3.835) 4.757 18.401 ( 0.588 -1.427 2.804) 3.201 18.589 ( -3.327 6.985 5.018) 9.222 18.704 ( -0.976 0.033 -1.245) 1.582 18.721 ( -0.671 0.332 0.026) 0.749 18.828 ( -3.120 -3.900 1.000) 5.094 19.117 ( 5.910 3.412 -1.055) 6.905 19.260 ( 1.675 -3.668 1.119) 4.185 19.519 ( 2.606 3.978 -1.310) 4.933 19.685 ( -0.407 -3.127 1.658) 3.563 19.772 ( -0.865 0.047 -2.231) 2.393 19.827 ( -0.615 -1.366 -2.004) 2.502 20.099 ( 1.978 0.184 -0.415) 2.030 20.285 ( -2.021 -8.171 2.405) 8.754 20.598 ( 5.732 2.669 -1.818) 6.579 20.711 ( 4.256 -2.729 -3.955) 6.419 21.092 ( 1.416 1.890 -0.377) 2.391 21.191 ( -0.279 -2.933 -0.051) 2.947 21.345 ( 6.939 2.769 1.101) 7.552 21.434 ( 7.960 -1.337 1.984) 8.312 21.693 ( 0.171 1.273 1.663) 2.101 21.748 ( 0.596 -0.749 2.437) 2.619 21.796 ( -3.278 0.917 -0.385) 3.425 21.877 ( -3.146 -1.977 -1.359) 3.957 21.888 ( -1.866 0.630 -1.311) 2.366 21.929 ( -3.314 -0.932 -2.151) 4.059 22.197 ( -5.677 1.081 0.176) 5.781 22.289 ( -7.996 -4.142 -1.721) 9.168 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -5.234 -12.468 14.123) 19.553 1.111 ( -5.234 12.468 14.123) 19.553 1.583 ( 7.086 -17.544 19.721) 27.330 1.583 ( 7.086 17.544 19.721) 27.330 1.818 ( 2.361 -11.936 -3.158) 12.571 1.818 ( 2.361 11.936 -3.158) 12.571 2.169 ( -5.410 -7.028 3.592) 9.569 2.169 ( -5.410 7.028 3.592) 9.569 2.467 ( 1.521 -2.530 -9.051) 9.520 2.467 ( 1.521 2.530 -9.051) 9.520 2.669 ( 0.830 -5.494 2.099) 5.940 2.669 ( 0.830 5.494 2.099) 5.940 2.835 ( 1.398 -4.013 2.646) 5.006 2.835 ( 1.398 4.013 2.646) 5.006 3.053 ( -6.306 -8.422 3.867) 11.209 3.053 ( -6.306 8.422 3.867) 11.209 3.216 ( -3.821 -7.336 -0.864) 8.317 3.216 ( -3.821 7.336 -0.864) 8.317 3.262 ( 6.482 -6.064 -0.886) 8.920 3.262 ( 6.482 6.064 -0.886) 8.920 3.392 ( -2.706 -2.267 0.082) 3.531 3.392 ( -2.706 2.267 0.082) 3.531 3.661 ( -0.784 -2.227 -4.430) 5.019 3.661 ( -0.784 2.227 -4.430) 5.019 3.734 ( 4.957 -5.066 -0.569) 7.111 3.734 ( 4.957 5.066 -0.569) 7.111 3.863 ( -0.167 -1.263 -3.820) 4.027 3.863 ( -0.167 1.263 -3.820) 4.027 3.893 ( -0.235 -3.172 1.005) 3.336 3.893 ( -0.235 3.172 1.005) 3.336 4.110 ( -1.453 -5.695 -0.922) 5.949 4.110 ( -1.453 5.695 -0.922) 5.949 4.216 ( 7.135 -5.610 -7.579) 11.824 4.216 ( 7.135 5.610 -7.579) 11.824 4.390 ( 2.422 -9.898 -1.444) 10.292 4.390 ( 2.422 9.898 -1.444) 10.292 4.539 ( -3.733 -7.823 -2.373) 8.987 4.539 ( -3.733 7.823 -2.373) 8.987 4.598 ( -1.748 -3.835 -3.985) 5.800 4.598 ( -1.748 3.835 -3.985) 5.800 4.813 ( -2.301 -2.814 -1.161) 3.816 4.813 ( -2.301 2.814 -1.161) 3.816 4.997 ( -1.218 -3.668 7.153) 8.130 4.997 ( -1.218 3.668 7.153) 8.130 5.281 ( -1.090 -4.290 3.334) 5.541 5.281 ( -1.090 4.290 3.334) 5.541 5.371 ( 0.531 -3.396 1.865) 3.911 5.371 ( 0.531 3.396 1.865) 3.911 5.452 ( 1.611 -3.394 9.377) 10.102 5.452 ( 1.611 3.394 9.377) 10.102 5.608 ( 1.004 -3.252 -3.806) 5.106 5.608 ( 1.004 3.252 -3.806) 5.106 5.848 ( 1.174 -5.389 -3.697) 6.640 5.848 ( 1.174 5.389 -3.697) 6.640 6.037 ( -4.815 -5.693 5.774) 9.431 6.037 ( -4.815 5.693 5.774) 9.431 6.100 ( 3.275 -3.247 -1.220) 4.771 6.100 ( 3.275 3.247 -1.220) 4.771 6.345 ( -4.260 -6.285 -6.361) 9.905 6.345 ( -4.260 6.285 -6.361) 9.905 6.521 ( 3.372 -2.947 -5.478) 7.076 6.521 ( 3.372 2.947 -5.478) 7.076 6.647 ( 5.602 -4.521 -4.285) 8.378 6.647 ( 5.602 4.521 -4.285) 8.378 6.947 ( -1.091 -5.674 0.005) 5.778 6.947 ( -1.091 5.674 0.005) 5.778 6.992 ( -4.267 -5.430 -4.371) 8.173 6.992 ( -4.267 5.430 -4.371) 8.173 7.084 ( -4.931 -6.997 6.069) 10.493 7.084 ( -4.931 6.997 6.069) 10.493 7.275 ( -2.466 -0.843 3.165) 4.100 7.275 ( -2.466 0.843 3.165) 4.100 7.481 ( 0.161 -2.113 2.019) 2.927 7.481 ( 0.161 2.113 2.019) 2.927 7.571 ( -0.755 -5.525 -1.142) 5.692 7.571 ( -0.755 5.525 -1.142) 5.692 7.855 ( 8.149 -2.169 0.623) 8.456 7.855 ( 8.149 2.169 0.623) 8.456 7.939 ( -0.540 -4.560 -7.967) 9.196 7.939 ( -0.540 4.560 -7.967) 9.196 8.087 ( -1.592 -3.144 -4.218) 5.497 8.087 ( -1.592 3.144 -4.218) 5.497 8.351 ( 2.250 -5.601 2.871) 6.684 8.351 ( 2.250 5.601 2.871) 6.684 8.580 ( 3.627 -0.549 1.418) 3.932 8.580 ( 3.627 0.549 1.418) 3.932 8.649 ( 0.810 -1.206 2.672) 3.042 8.649 ( 0.810 1.206 2.672) 3.042 8.700 ( 0.835 -1.813 6.453) 6.754 8.700 ( 0.835 1.813 6.453) 6.754 9.028 ( -3.984 -5.110 -1.099) 6.572 9.028 ( -3.984 5.110 -1.099) 6.572 9.179 ( -2.542 -3.497 6.389) 7.714 9.179 ( -2.542 3.497 6.389) 7.714 9.518 ( -0.414 -6.629 -4.302) 7.914 9.518 ( -0.414 6.629 -4.302) 7.914 9.792 ( -1.804 -5.186 0.675) 5.532 9.792 ( -1.804 5.186 0.675) 5.532 10.179 ( 1.424 -2.536 -0.191) 2.914 10.179 ( 1.424 2.536 -0.191) 2.914 10.804 ( 3.064 -2.145 -1.976) 4.230 10.804 ( 3.064 2.145 -1.976) 4.230 11.008 ( -2.378 -3.676 0.008) 4.379 11.008 ( -2.378 3.676 0.008) 4.379 14.052 ( 0.727 -4.305 -0.875) 4.453 14.052 ( 0.727 4.305 -0.875) 4.453 14.117 ( -0.260 -3.266 0.510) 3.316 14.117 ( -0.260 3.266 0.510) 3.316 14.295 ( 2.879 -1.826 4.228) 5.431 14.295 ( 2.879 1.826 4.228) 5.431 14.384 ( -2.345 -1.672 -2.283) 3.675 14.384 ( -2.345 1.672 -2.283) 3.675 14.592 ( 0.379 -1.645 2.468) 2.990 14.592 ( 0.379 1.645 2.468) 2.990 14.830 ( -1.767 -0.328 2.257) 2.886 14.830 ( -1.767 0.328 2.257) 2.886 14.984 ( 0.422 -1.669 -1.560) 2.323 14.984 ( 0.422 1.669 -1.560) 2.323 15.230 ( 0.678 -1.888 -1.130) 2.303 15.230 ( 0.678 1.888 -1.130) 2.303 15.324 ( 0.748 -5.044 -2.870) 5.852 15.324 ( 0.748 5.044 -2.870) 5.852 15.487 ( -2.477 -2.649 -4.962) 6.146 15.487 ( -2.477 2.649 -4.962) 6.146 15.899 ( 0.531 -3.237 3.705) 4.949 15.899 ( 0.531 3.237 3.705) 4.949 16.136 ( -1.274 -3.058 -0.963) 3.450 16.136 ( -1.274 3.058 -0.963) 3.450 16.378 ( 5.389 -2.106 5.891) 8.257 16.378 ( 5.389 2.106 5.891) 8.257 16.754 ( -3.433 -7.920 -3.319) 9.248 16.754 ( -3.433 7.920 -3.319) 9.248 17.434 ( 1.463 -5.295 1.906) 5.814 17.434 ( 1.463 5.295 1.906) 5.814 17.654 ( 0.953 -4.845 -3.936) 6.314 17.654 ( 0.953 4.845 -3.936) 6.314 17.816 ( 1.830 -1.827 0.982) 2.766 17.816 ( 1.830 1.827 0.982) 2.766 18.032 ( -1.538 -0.732 -0.250) 1.721 18.032 ( -1.538 0.732 -0.250) 1.721 18.369 ( -0.115 -2.973 3.844) 4.861 18.369 ( -0.115 2.973 3.844) 4.861 18.635 ( -1.442 -4.104 2.293) 4.917 18.635 ( -1.442 4.104 2.293) 4.917 18.732 ( -0.344 -1.542 0.527) 1.665 18.732 ( -0.344 1.542 0.527) 1.665 19.225 ( -0.738 -2.008 0.923) 2.330 19.225 ( -0.738 2.008 0.923) 2.330 19.629 ( -1.181 -2.783 0.855) 3.142 19.629 ( -1.181 2.783 0.855) 3.142 19.806 ( 3.002 -1.617 -2.102) 4.005 19.806 ( 3.002 1.617 -2.102) 4.005 20.144 ( -0.797 -2.182 -0.124) 2.327 20.144 ( -0.797 2.182 -0.124) 2.327 20.696 ( 0.185 -2.594 -4.423) 5.131 20.696 ( 0.185 2.594 -4.423) 5.131 21.170 ( 2.313 -0.288 3.212) 3.968 21.170 ( 2.313 0.288 3.212) 3.968 21.447 ( -4.383 -0.688 -3.130) 5.430 21.447 ( -4.383 0.688 -3.130) 5.430 21.715 ( -1.223 -1.089 0.810) 1.827 21.715 ( -1.223 1.089 0.810) 1.827 21.805 ( 1.732 -1.767 0.156) 2.479 21.805 ( 1.732 1.767 0.156) 2.479 21.906 ( 0.948 -0.202 -0.656) 1.171 21.906 ( 0.948 0.202 -0.656) 1.171 22.129 ( -0.149 -0.223 -0.032) 0.270 22.129 ( -0.149 0.223 -0.032) 0.270 ======================= Grid point 69 (36/64) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.193 -12.244 8.610) 14.969 1.063 ( 0.193 12.244 8.610) 14.969 1.718 ( 1.567 -6.869 12.634) 14.466 1.718 ( 1.567 6.869 12.634) 14.466 1.931 ( 5.016 -2.687 -0.380) 5.703 1.931 ( 5.016 2.687 -0.380) 5.703 2.058 ( -1.791 -7.526 5.906) 9.733 2.058 ( -1.791 7.526 5.906) 9.733 2.438 ( -5.042 -7.847 -1.258) 9.411 2.438 ( -5.042 7.847 -1.258) 9.411 2.734 ( 5.547 -9.548 -2.275) 11.274 2.734 ( 5.547 9.548 -2.275) 11.274 2.827 ( -3.183 -2.204 1.836) 4.284 2.827 ( -3.183 2.204 1.836) 4.284 2.976 ( 1.671 -4.104 3.361) 5.562 2.976 ( 1.671 4.104 3.361) 5.562 3.046 ( -10.135 -9.328 -1.937) 13.910 3.046 ( -10.135 9.328 -1.937) 13.910 3.323 ( -1.172 -9.577 -3.678) 10.325 3.323 ( -1.172 9.577 -3.678) 10.325 3.415 ( 1.237 -2.962 3.677) 4.881 3.415 ( 1.237 2.962 3.677) 4.881 3.639 ( 1.289 -4.418 1.587) 4.868 3.639 ( 1.289 4.418 1.587) 4.868 3.702 ( -6.246 -0.410 0.926) 6.328 3.702 ( -6.246 0.410 0.926) 6.328 3.854 ( 3.529 -6.698 -8.146) 11.121 3.854 ( 3.529 6.698 -8.146) 11.121 3.972 ( 3.408 -2.577 0.668) 4.325 3.972 ( 3.408 2.577 0.668) 4.325 4.107 ( 0.084 -7.203 -1.283) 7.317 4.107 ( 0.084 7.203 -1.283) 7.317 4.302 ( -2.834 -0.241 -6.213) 6.833 4.302 ( -2.834 0.241 -6.213) 6.833 4.410 ( 2.030 -7.374 0.026) 7.648 4.410 ( 2.030 7.374 0.026) 7.648 4.509 ( 3.374 -10.669 1.484) 11.288 4.509 ( 3.374 10.669 1.484) 11.288 4.663 ( 7.100 -6.277 -7.190) 11.896 4.663 ( 7.100 6.277 -7.190) 11.896 4.814 ( 2.441 -3.553 -3.675) 5.665 4.814 ( 2.441 3.553 -3.675) 5.665 5.005 ( 1.266 -2.706 4.637) 5.516 5.005 ( 1.266 2.706 4.637) 5.516 5.259 ( -0.458 -10.918 8.229) 13.679 5.259 ( -0.458 10.918 8.229) 13.679 5.376 ( 0.029 -3.695 3.058) 4.797 5.376 ( 0.029 3.695 3.058) 4.797 5.514 ( 2.610 -6.993 3.705) 8.333 5.514 ( 2.610 6.993 3.705) 8.333 5.597 ( -1.668 -3.764 -3.444) 5.368 5.597 ( -1.668 3.764 -3.444) 5.368 5.879 ( 0.034 -0.074 -2.279) 2.281 5.879 ( 0.034 0.074 -2.279) 2.281 5.999 ( 0.752 -3.839 6.374) 7.479 5.999 ( 0.752 3.839 6.374) 7.479 6.115 ( -1.229 -2.914 -7.437) 8.081 6.115 ( -1.229 2.914 -7.437) 8.081 6.271 ( -2.654 -3.749 -6.764) 8.177 6.271 ( -2.654 3.749 -6.764) 8.177 6.450 ( -3.838 -2.306 -3.676) 5.793 6.450 ( -3.838 2.306 -3.676) 5.793 6.698 ( -7.946 -6.437 -0.879) 10.264 6.698 ( -7.946 6.437 -0.879) 10.264 6.798 ( -8.236 -4.870 -0.320) 9.573 6.798 ( -8.236 4.870 -0.320) 9.573 6.917 ( 2.904 -6.383 -3.049) 7.647 6.917 ( 2.904 6.383 -3.049) 7.647 7.091 ( 2.993 -6.302 6.843) 9.773 7.091 ( 2.993 6.302 6.843) 9.773 7.250 ( 0.078 -2.015 -0.483) 2.073 7.250 ( 0.078 2.015 -0.483) 2.073 7.447 ( -1.917 -5.505 1.035) 5.921 7.447 ( -1.917 5.505 1.035) 5.921 7.529 ( -5.053 -2.802 2.956) 6.490 7.529 ( -5.053 2.802 2.956) 6.490 7.921 ( -3.355 -4.295 1.042) 5.548 7.921 ( -3.355 4.295 1.042) 5.548 7.995 ( 6.699 -1.451 -3.075) 7.512 7.995 ( 6.699 1.451 -3.075) 7.512 8.145 ( 7.627 -7.363 -9.223) 14.051 8.145 ( 7.627 7.363 -9.223) 14.051 8.411 ( 1.009 -3.874 3.949) 5.623 8.411 ( 1.009 3.874 3.949) 5.623 8.533 ( -5.585 -4.537 5.427) 9.013 8.533 ( -5.585 4.537 5.427) 9.013 8.669 ( -0.349 -0.275 -1.206) 1.286 8.669 ( -0.349 0.275 -1.206) 1.286 8.757 ( 1.863 -4.829 7.052) 8.748 8.757 ( 1.863 4.829 7.052) 8.748 8.946 ( -2.801 -6.100 -1.980) 6.998 8.946 ( -2.801 6.100 -1.980) 6.998 9.299 ( 12.089 -1.714 3.446) 12.687 9.299 ( 12.089 1.714 3.446) 12.687 9.507 ( 0.533 -5.020 -5.085) 7.165 9.507 ( 0.533 5.020 -5.085) 7.165 9.803 ( 1.947 -8.019 0.247) 8.256 9.803 ( 1.947 8.019 0.247) 8.256 10.266 ( 6.025 -4.644 0.272) 7.612 10.266 ( 6.025 4.644 0.272) 7.612 10.823 ( -1.052 -0.692 -1.025) 1.623 10.823 ( -1.052 0.692 -1.025) 1.623 10.956 ( -2.192 -3.804 -0.300) 4.401 10.956 ( -2.192 3.804 -0.300) 4.401 14.024 ( -2.906 -2.392 -0.735) 3.835 14.024 ( -2.906 2.392 -0.735) 3.835 14.119 ( 0.393 -3.242 0.955) 3.402 14.119 ( 0.393 3.242 0.955) 3.402 14.269 ( -3.629 -1.331 1.221) 4.054 14.269 ( -3.629 1.331 1.221) 4.054 14.408 ( 2.300 -0.186 -1.154) 2.580 14.408 ( 2.300 0.186 -1.154) 2.580 14.600 ( 0.054 -2.552 2.407) 3.508 14.600 ( 0.054 2.552 2.407) 3.508 14.794 ( -1.617 -1.577 2.632) 3.468 14.794 ( -1.617 1.577 2.632) 3.468 15.014 ( 2.836 -1.112 0.600) 3.104 15.014 ( 2.836 1.112 0.600) 3.104 15.228 ( 0.318 -0.129 -2.560) 2.583 15.228 ( 0.318 0.129 -2.560) 2.583 15.385 ( -0.662 -2.770 -4.598) 5.408 15.385 ( -0.662 2.770 -4.598) 5.408 15.402 ( 0.030 -2.026 -2.279) 3.049 15.402 ( 0.030 2.026 -2.279) 3.049 15.868 ( -2.541 -4.128 2.121) 5.291 15.868 ( -2.541 4.128 2.121) 5.291 16.122 ( -2.213 -6.121 1.909) 6.782 16.122 ( -2.213 6.121 1.909) 6.782 16.458 ( 2.604 -5.746 1.944) 6.602 16.458 ( 2.604 5.746 1.944) 6.602 16.798 ( 7.394 -5.678 -1.274) 9.410 16.798 ( 7.394 5.678 -1.274) 9.410 17.379 ( -5.847 -4.993 0.375) 7.698 17.379 ( -5.847 4.993 0.375) 7.698 17.669 ( 0.330 -2.577 -1.523) 3.012 17.669 ( 0.330 2.577 -1.523) 3.012 17.831 ( -1.358 -1.274 3.709) 4.150 17.831 ( -1.358 1.274 3.709) 4.150 18.014 ( 0.113 -0.570 -2.730) 2.791 18.014 ( 0.113 0.570 -2.730) 2.791 18.352 ( -1.642 -2.099 4.063) 4.859 18.352 ( -1.642 2.099 4.063) 4.859 18.669 ( 4.048 -6.998 1.795) 8.281 18.669 ( 4.048 6.998 1.795) 8.281 18.730 ( 0.056 -0.900 -0.450) 1.008 18.730 ( 0.056 0.900 -0.450) 1.008 19.168 ( -4.301 -0.938 0.191) 4.407 19.168 ( -4.301 0.938 0.191) 4.407 19.587 ( -2.218 -2.379 -0.755) 3.339 19.587 ( -2.218 2.379 -0.755) 3.339 19.865 ( 1.415 -1.202 0.284) 1.878 19.865 ( 1.415 1.202 0.284) 1.878 20.131 ( 0.594 -0.764 -0.644) 1.162 20.131 ( 0.594 0.764 -0.644) 1.162 20.645 ( -4.292 -3.111 -3.174) 6.179 20.645 ( -4.292 3.111 -3.174) 6.179 21.209 ( -0.293 -2.400 2.083) 3.191 21.209 ( -0.293 2.400 2.083) 3.191 21.292 ( -6.560 -3.348 -1.624) 7.542 21.292 ( -6.560 3.348 -1.624) 7.542 21.709 ( 0.475 -1.539 1.507) 2.205 21.709 ( 0.475 1.539 1.507) 2.205 21.832 ( -0.094 -2.886 -0.695) 2.970 21.832 ( -0.094 2.886 -0.695) 2.970 21.930 ( 2.899 -1.157 -1.066) 3.298 21.930 ( 2.899 1.157 -1.066) 3.298 22.229 ( 6.871 -1.860 -0.399) 7.130 22.229 ( 6.871 1.860 -0.399) 7.130 ======================= Grid point 71 (37/64) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 2.155 -9.952 -1.001) 10.232 1.111 ( 2.155 9.953 -1.001) 10.232 1.733 ( -0.842 -1.889 0.939) 2.271 1.733 ( -0.842 1.889 0.939) 2.271 1.946 ( 1.795 -8.122 -2.105) 8.581 1.946 ( 1.795 8.122 -2.105) 8.581 2.123 ( 0.223 -9.948 5.102) 11.183 2.123 ( 0.223 9.948 5.102) 11.183 2.404 ( 3.539 -1.872 3.982) 5.646 2.404 ( 3.539 1.872 3.982) 5.646 2.618 ( -8.675 -3.388 6.851) 11.561 2.618 ( -8.675 3.388 6.851) 11.561 2.818 ( -8.968 -13.569 4.246) 16.810 2.818 ( -8.968 13.569 4.246) 16.810 2.933 ( 4.953 -4.669 -3.988) 7.889 2.933 ( 4.953 4.669 -3.988) 7.889 3.093 ( 5.186 -4.214 2.819) 7.252 3.093 ( 5.186 4.214 2.819) 7.252 3.264 ( -2.578 -9.465 -1.564) 9.934 3.264 ( -2.578 9.465 -1.564) 9.934 3.401 ( -1.267 -4.339 3.037) 5.446 3.401 ( -1.267 4.339 3.037) 5.446 3.559 ( -5.775 -1.764 2.830) 6.669 3.559 ( -5.775 1.764 2.830) 6.669 3.735 ( 4.818 -3.072 -0.154) 5.716 3.735 ( 4.818 3.072 -0.154) 5.716 3.913 ( 1.697 -6.571 -7.403) 10.043 3.913 ( 1.697 6.571 -7.403) 10.043 3.961 ( -3.082 -10.096 4.367) 11.423 3.961 ( -3.082 10.096 4.367) 11.423 4.109 ( 0.474 -9.082 -3.383) 9.703 4.109 ( 0.474 9.082 -3.383) 9.703 4.309 ( 3.556 -6.347 -3.561) 8.100 4.309 ( 3.556 6.347 -3.561) 8.100 4.425 ( 2.553 -7.043 -1.108) 7.573 4.425 ( 2.553 7.043 -1.108) 7.573 4.497 ( -5.091 -6.345 2.280) 8.448 4.497 ( -5.091 6.345 2.280) 8.448 4.813 ( -0.298 -2.803 1.324) 3.115 4.813 ( -0.298 2.803 1.324) 3.115 4.898 ( 11.139 -6.161 -8.853) 15.505 4.898 ( 11.139 6.161 -8.853) 15.505 5.088 ( 4.989 -6.377 0.487) 8.111 5.088 ( 4.989 6.377 0.487) 8.111 5.296 ( 1.352 -8.896 5.336) 10.461 5.296 ( 1.352 8.896 5.336) 10.461 5.387 ( 0.960 -7.615 -0.292) 7.680 5.387 ( 0.960 7.615 -0.292) 7.680 5.458 ( -3.979 -2.444 -6.314) 7.853 5.458 ( -3.979 2.444 -6.314) 7.853 5.660 ( 3.755 -3.774 1.243) 5.467 5.660 ( 3.755 3.774 1.243) 5.467 5.871 ( 0.604 -4.403 4.411) 6.262 5.871 ( 0.604 4.403 4.411) 6.262 5.956 ( -4.058 -6.090 -2.346) 7.685 5.956 ( -4.058 6.090 -2.346) 7.685 6.066 ( -4.858 -6.326 -6.671) 10.398 6.066 ( -4.858 6.326 -6.671) 10.398 6.184 ( -1.936 -4.776 -2.524) 5.738 6.184 ( -1.936 4.776 -2.524) 5.738 6.412 ( 0.253 -1.069 -2.272) 2.524 6.412 ( 0.253 1.069 -2.272) 2.524 6.588 ( -1.549 -6.964 2.732) 7.640 6.588 ( -1.549 6.964 2.732) 7.640 6.662 ( -2.928 -2.994 -0.109) 4.189 6.662 ( -2.928 2.994 -0.109) 4.189 6.950 ( -1.279 -4.371 -1.679) 4.854 6.950 ( -1.279 4.371 -1.679) 4.854 7.104 ( -0.919 -1.959 8.932) 9.190 7.104 ( -0.919 1.959 8.932) 9.190 7.342 ( 1.385 -6.655 -1.373) 6.935 7.342 ( 1.385 6.655 -1.373) 6.935 7.387 ( 0.262 -1.916 -2.024) 2.799 7.387 ( 0.262 1.916 -2.024) 2.799 7.462 ( 0.186 -2.365 3.917) 4.579 7.462 ( 0.186 2.365 3.917) 4.579 7.855 ( -2.189 -0.997 3.196) 4.000 7.855 ( -2.189 0.997 3.196) 4.000 8.085 ( -0.023 -6.432 0.753) 6.476 8.085 ( -0.023 6.432 0.753) 6.476 8.212 ( -3.702 -5.840 -2.936) 7.512 8.212 ( -3.702 5.840 -2.936) 7.512 8.398 ( 4.755 -5.263 -4.252) 8.269 8.398 ( 4.755 5.263 -4.252) 8.269 8.469 ( -2.913 -2.994 6.613) 7.821 8.469 ( -2.913 2.994 6.613) 7.821 8.627 ( -2.619 -3.072 -5.944) 7.185 8.627 ( -2.619 3.072 -5.944) 7.185 8.814 ( 1.404 -4.205 2.850) 5.271 8.814 ( 1.404 4.205 2.850) 5.271 8.913 ( 0.144 -5.599 1.164) 5.721 8.913 ( 0.144 5.599 1.164) 5.721 9.437 ( 0.189 -8.176 -4.099) 9.148 9.437 ( 0.189 8.176 -4.099) 9.148 9.634 ( 8.142 -3.928 4.024) 9.894 9.634 ( 8.142 3.928 4.024) 9.894 9.890 ( 8.486 -9.308 -3.440) 13.057 9.890 ( 8.486 9.308 -3.440) 13.057 10.376 ( 2.848 -2.272 -0.544) 3.684 10.376 ( 2.848 2.272 -0.544) 3.684 10.774 ( -3.263 -0.945 2.963) 4.508 10.774 ( -3.263 0.945 2.963) 4.508 10.920 ( -0.712 -4.205 -1.921) 4.677 10.920 ( -0.712 4.205 -1.921) 4.677 13.954 ( -3.049 -0.882 -0.396) 3.199 13.954 ( -3.049 0.882 -0.396) 3.199 14.133 ( 0.724 -5.329 0.442) 5.396 14.133 ( 0.724 5.329 0.442) 5.396 14.195 ( -3.044 -2.584 -0.714) 4.056 14.195 ( -3.044 2.584 -0.714) 4.056 14.437 ( 1.017 -1.131 -1.619) 2.222 14.437 ( 1.017 1.131 -1.619) 2.222 14.616 ( 1.156 -3.051 2.566) 4.151 14.616 ( 1.156 3.051 2.566) 4.151 14.756 ( -2.699 -0.525 2.969) 4.046 14.756 ( -2.699 0.525 2.969) 4.046 15.097 ( 3.786 -3.514 2.173) 5.604 15.097 ( 3.786 3.514 2.173) 5.604 15.251 ( 1.686 -2.142 0.681) 2.810 15.251 ( 1.686 2.142 0.681) 2.810 15.273 ( -3.933 -1.237 -5.068) 6.534 15.273 ( -3.933 1.237 -5.068) 6.534 15.473 ( 2.942 -2.987 -3.186) 5.266 15.473 ( 2.942 2.987 -3.186) 5.266 15.830 ( -1.279 -3.482 0.858) 3.808 15.830 ( -1.279 3.482 0.858) 3.808 16.030 ( -5.685 -1.245 1.674) 6.056 16.030 ( -5.685 1.245 1.674) 6.056 16.550 ( 5.810 -3.990 -1.663) 7.242 16.550 ( 5.810 3.990 -1.663) 7.242 16.964 ( 5.756 -5.831 2.113) 8.461 16.964 ( 5.756 5.831 2.113) 8.461 17.243 ( -5.228 -5.816 -1.020) 7.887 17.243 ( -5.228 5.816 -1.020) 7.887 17.627 ( -4.707 -0.956 3.263) 5.807 17.627 ( -4.707 0.956 3.263) 5.807 17.801 ( -1.142 -0.673 3.027) 3.305 17.801 ( -1.142 0.673 3.027) 3.305 18.020 ( 0.960 -0.734 -4.548) 4.706 18.020 ( 0.960 0.734 -4.548) 4.706 18.337 ( -0.362 -2.191 3.782) 4.386 18.337 ( -0.362 2.191 3.782) 4.386 18.730 ( 0.065 -1.636 -1.154) 2.003 18.730 ( 0.065 1.636 -1.154) 2.003 18.776 ( 4.940 -8.676 1.193) 10.055 18.776 ( 4.940 8.676 1.193) 10.055 19.071 ( -4.277 -1.076 -0.871) 4.496 19.071 ( -4.277 1.076 -0.871) 4.496 19.545 ( -1.489 -1.333 -0.784) 2.146 19.545 ( -1.489 1.333 -0.784) 2.146 19.849 ( -2.029 -2.620 -0.411) 3.339 19.849 ( -2.029 2.620 -0.411) 3.339 20.194 ( 4.786 -1.074 0.722) 4.958 20.194 ( 4.786 1.074 0.722) 4.958 20.525 ( -5.967 -3.381 -1.659) 7.056 20.525 ( -5.967 3.381 -1.659) 7.056 21.143 ( -3.566 -1.763 -1.296) 4.184 21.143 ( -3.566 1.763 -1.296) 4.184 21.233 ( -0.969 -2.638 1.359) 3.121 21.233 ( -0.969 2.638 1.359) 3.121 21.727 ( 0.413 -0.920 1.447) 1.763 21.727 ( 0.413 0.920 1.447) 1.763 21.836 ( 0.962 -1.122 0.329) 1.514 21.836 ( 0.962 1.122 0.329) 1.514 21.996 ( 2.831 -1.619 -1.765) 3.708 21.996 ( 2.831 1.619 -1.765) 3.708 22.348 ( 4.000 -2.238 -0.647) 4.629 22.348 ( 4.000 2.238 -0.647) 4.629 ======================= Grid point 73 (38/64) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.938 -4.098 -8.467) 9.605 1.108 ( -1.938 4.098 -8.467) 9.605 1.733 ( 1.104 -1.573 -1.032) 2.182 1.733 ( 1.104 1.573 -1.032) 2.182 1.957 ( -1.185 -6.579 -7.491) 10.040 1.957 ( -1.185 6.579 -7.491) 10.040 2.126 ( 1.019 -6.732 3.494) 7.653 2.126 ( 1.019 6.732 3.494) 7.653 2.455 ( -1.115 -4.753 7.543) 8.985 2.455 ( -1.115 4.753 7.543) 8.985 2.537 ( -1.339 -9.081 6.858) 11.458 2.537 ( -1.339 9.081 6.858) 11.458 2.718 ( -0.583 -9.794 8.841) 13.207 2.718 ( -0.583 9.794 8.841) 13.207 2.995 ( 1.857 -2.246 2.176) 3.637 2.995 ( 1.857 2.246 2.176) 3.637 3.104 ( -3.129 -4.155 4.237) 6.708 3.104 ( -3.129 4.155 4.237) 6.708 3.252 ( 0.748 -4.759 -6.832) 8.360 3.252 ( 0.748 4.759 -6.832) 8.360 3.432 ( 3.053 -10.545 1.881) 11.138 3.432 ( 3.053 10.545 1.881) 11.138 3.483 ( -0.546 -1.586 4.484) 4.787 3.483 ( -0.546 1.586 4.484) 4.787 3.770 ( -3.067 -2.852 1.212) 4.360 3.770 ( -3.067 2.852 1.212) 4.360 3.916 ( 0.661 -12.659 3.306) 13.100 3.916 ( 0.661 12.659 3.306) 13.100 3.950 ( 2.340 -5.660 -8.730) 10.664 3.950 ( 2.340 5.661 -8.730) 10.664 4.100 ( -0.392 -9.641 -5.179) 10.951 4.100 ( -0.392 9.641 -5.179) 10.951 4.338 ( -3.534 -0.789 4.352) 5.661 4.338 ( -3.534 0.789 4.352) 5.661 4.363 ( -3.696 -1.967 -3.383) 5.383 4.363 ( -3.696 1.967 -3.383) 5.383 4.554 ( 6.479 -9.212 1.513) 11.363 4.554 ( 6.479 9.212 1.513) 11.363 4.778 ( -0.834 -2.281 3.760) 4.476 4.778 ( -0.834 2.281 3.760) 4.476 5.060 ( 2.683 -6.540 -6.420) 9.549 5.060 ( 2.683 6.540 -6.420) 9.549 5.149 ( 0.089 -0.961 -3.441) 3.573 5.149 ( 0.089 0.961 -3.441) 3.573 5.262 ( -1.032 -8.601 -3.098) 9.200 5.262 ( -1.032 8.601 -3.098) 9.200 5.383 ( -1.351 -6.472 -1.716) 6.830 5.383 ( -1.351 6.472 -1.716) 6.830 5.477 ( 2.122 -2.930 -4.716) 5.944 5.477 ( 2.122 2.930 -4.716) 5.944 5.650 ( -1.513 -0.796 -1.792) 2.477 5.650 ( -1.513 0.796 -1.792) 2.477 5.827 ( -3.476 -3.310 -1.708) 5.095 5.827 ( -3.476 3.310 -1.708) 5.095 5.957 ( -1.697 -3.357 -7.959) 8.803 5.957 ( -1.697 3.357 -7.959) 8.803 5.996 ( 3.330 -9.648 10.051) 14.324 5.996 ( 3.330 9.648 10.051) 14.324 6.167 ( 0.485 -4.245 2.202) 4.807 6.167 ( 0.485 4.245 2.202) 4.807 6.472 ( 3.640 -7.426 -2.305) 8.585 6.472 ( 3.640 7.426 -2.305) 8.585 6.578 ( 4.314 -4.642 -1.315) 6.472 6.578 ( 4.314 4.642 -1.315) 6.472 6.689 ( 1.773 -3.825 2.648) 4.979 6.689 ( 1.773 3.825 2.648) 4.979 6.853 ( -5.985 -5.447 2.672) 8.522 6.853 ( -5.985 5.447 2.672) 8.522 7.148 ( 0.922 -4.368 6.334) 7.749 7.148 ( 0.922 4.368 6.334) 7.749 7.295 ( 1.354 -6.837 -0.752) 7.010 7.295 ( 1.354 6.837 -0.752) 7.010 7.373 ( -1.392 -4.590 1.612) 5.060 7.373 ( -1.392 4.590 1.612) 5.060 7.611 ( 8.312 -6.050 -2.906) 10.684 7.611 ( 8.312 6.050 -2.906) 10.684 7.800 ( -4.251 -5.039 7.790) 10.206 7.800 ( -4.251 5.039 7.790) 10.206 7.988 ( -6.308 -3.381 1.677) 7.351 7.988 ( -6.308 3.381 1.677) 7.351 8.186 ( 1.702 -4.825 -1.228) 5.262 8.186 ( 1.702 4.825 -1.228) 5.262 8.323 ( -7.075 -3.690 -0.222) 7.982 8.323 ( -7.075 3.690 -0.222) 7.982 8.543 ( -2.053 -4.019 -3.394) 5.646 8.543 ( -2.053 4.019 -3.394) 5.646 8.613 ( 7.910 -5.509 -8.591) 12.912 8.613 ( 7.910 5.509 -8.591) 12.912 8.786 ( -2.948 -3.231 1.986) 4.804 8.786 ( -2.948 3.231 1.986) 4.804 8.954 ( 2.115 -1.562 2.998) 3.988 8.954 ( 2.115 1.562 2.998) 3.988 9.424 ( -0.271 -7.049 -4.635) 8.441 9.424 ( -0.271 7.049 -4.635) 8.441 9.693 ( -1.640 -6.817 6.411) 9.501 9.693 ( -1.640 6.817 6.411) 9.501 10.096 ( 6.417 -4.021 -4.509) 8.813 10.096 ( 6.417 4.021 -4.509) 8.813 10.377 ( 0.272 -4.883 -2.988) 5.731 10.377 ( 0.272 4.883 -2.988) 5.731 10.679 ( -6.945 -5.509 5.434) 10.398 10.679 ( -6.945 5.509 5.434) 10.398 10.948 ( 3.425 -5.739 -1.252) 6.800 10.948 ( 3.425 5.739 -1.252) 6.800 13.911 ( -0.670 -0.836 -0.548) 1.203 13.911 ( -0.670 0.836 -0.548) 1.203 14.134 ( -0.820 -3.420 -2.155) 4.124 14.134 ( -0.819 3.420 -2.155) 4.124 14.163 ( 0.283 -0.966 1.144) 1.524 14.163 ( 0.283 0.966 1.144) 1.524 14.462 ( 1.730 -0.936 -1.578) 2.522 14.462 ( 1.730 0.936 -1.578) 2.522 14.649 ( 1.085 -0.834 3.617) 3.867 14.649 ( 1.085 0.834 3.617) 3.867 14.697 ( -2.759 -1.694 1.437) 3.542 14.697 ( -2.759 1.694 1.437) 3.542 15.118 ( -2.341 -3.267 -2.085) 4.528 15.118 ( -2.341 3.267 -2.085) 4.528 15.208 ( -0.066 -1.148 1.495) 1.887 15.208 ( -0.066 1.148 1.495) 1.887 15.344 ( 4.844 -2.612 1.666) 5.750 15.344 ( 4.844 2.612 1.666) 5.750 15.516 ( 2.091 -1.693 -1.979) 3.340 15.516 ( 2.091 1.693 -1.979) 3.340 15.781 ( -4.104 -1.242 -2.821) 5.132 15.781 ( -4.104 1.242 -2.821) 5.132 15.962 ( 0.357 -1.308 1.058) 1.719 15.962 ( 0.357 1.308 1.058) 1.719 16.637 ( 0.156 -1.831 -0.386) 1.878 16.637 ( 0.156 1.831 -0.386) 1.878 16.974 ( -1.355 -1.568 -2.178) 3.006 16.974 ( -1.355 1.568 -2.178) 3.006 17.225 ( 0.624 -4.367 2.764) 5.206 17.225 ( 0.624 4.367 2.764) 5.206 17.536 ( -2.519 -4.296 4.124) 6.466 17.536 ( -2.519 4.296 4.124) 6.466 17.791 ( -0.402 -0.640 0.987) 1.243 17.791 ( -0.402 0.640 0.987) 1.243 18.041 ( 1.747 -0.438 -3.673) 4.091 18.041 ( 1.747 0.438 -3.673) 4.091 18.344 ( 0.161 -2.902 3.990) 4.937 18.344 ( 0.161 2.902 3.990) 4.937 18.724 ( -0.301 -1.631 -1.894) 2.518 18.724 ( -0.301 1.631 -1.894) 2.518 18.848 ( 0.740 -8.308 1.776) 8.528 18.848 ( 0.740 8.308 1.776) 8.528 19.018 ( 0.465 -4.458 -1.583) 4.753 19.018 ( 0.465 4.458 -1.583) 4.753 19.527 ( 0.024 -1.813 -0.355) 1.847 19.527 ( 0.024 1.813 -0.355) 1.847 19.814 ( -0.752 -1.959 -1.431) 2.540 19.814 ( -0.752 1.959 -1.431) 2.540 20.271 ( -0.185 -3.765 2.499) 4.522 20.271 ( -0.185 3.765 2.499) 4.522 20.441 ( 0.660 -5.053 -1.977) 5.466 20.441 ( 0.660 5.053 -1.977) 5.466 21.101 ( -0.132 -1.307 -0.682) 1.480 21.101 ( -0.132 1.307 -0.682) 1.480 21.227 ( 0.380 -0.997 0.534) 1.193 21.227 ( 0.380 0.997 0.534) 1.193 21.724 ( -0.696 -0.503 0.336) 0.922 21.724 ( -0.696 0.503 0.336) 0.922 21.860 ( 0.646 -0.962 1.863) 2.194 21.860 ( 0.646 0.962 1.863) 2.194 22.026 ( 0.155 -1.669 -2.008) 2.615 22.026 ( 0.155 1.669 -2.008) 2.615 22.389 ( 0.074 -2.275 -0.642) 2.365 22.389 ( 0.074 2.275 -0.642) 2.365 ======================= Grid point 75 (39/64) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -1.420 -4.300 -7.187) 8.494 1.037 ( -1.420 4.300 -7.187) 8.494 1.691 ( -6.104 -14.622 -0.581) 15.855 1.691 ( -6.104 14.622 -0.581) 15.855 1.937 ( -0.528 -5.100 1.874) 5.459 1.937 ( -0.528 5.100 1.874) 5.459 2.179 ( 2.897 -5.487 2.570) 6.716 2.179 ( 2.897 5.487 2.570) 6.716 2.446 ( -0.822 -6.166 8.455) 10.496 2.446 ( -0.822 6.166 8.455) 10.496 2.531 ( 1.866 -9.794 6.104) 11.691 2.531 ( 1.866 9.794 6.104) 11.691 2.764 ( 0.604 -6.146 3.737) 7.218 2.764 ( 0.604 6.146 3.737) 7.218 2.961 ( -1.319 -1.870 1.853) 2.945 2.961 ( -1.319 1.870 1.853) 2.945 3.143 ( 4.943 -3.267 -0.256) 5.931 3.143 ( 4.943 3.267 -0.256) 5.931 3.255 ( 0.337 -2.538 -5.144) 5.746 3.255 ( 0.337 2.538 -5.144) 5.746 3.462 ( 0.768 -2.508 1.297) 2.926 3.462 ( 0.768 2.508 1.297) 2.926 3.577 ( 5.934 -8.244 3.846) 10.861 3.577 ( 5.934 8.244 3.846) 10.861 3.686 ( -3.343 -7.771 0.244) 8.463 3.686 ( -3.343 7.771 0.244) 8.463 3.894 ( -3.149 -8.237 1.089) 8.885 3.894 ( -3.149 8.237 1.089) 8.885 3.977 ( -1.409 -3.775 -8.955) 9.819 3.977 ( -1.409 3.775 -8.955) 9.819 4.068 ( -1.835 -3.550 -0.550) 4.034 4.068 ( -1.835 3.550 -0.550) 4.034 4.266 ( 0.598 -4.270 2.082) 4.788 4.266 ( 0.598 4.270 2.082) 4.788 4.327 ( -0.443 -2.912 -4.738) 5.579 4.327 ( -0.443 2.912 -4.738) 5.579 4.635 ( 1.127 -11.350 1.989) 11.578 4.635 ( 1.127 11.350 1.989) 11.578 4.771 ( -3.883 -4.432 0.695) 5.934 4.771 ( -3.883 4.432 0.695) 5.934 5.016 ( -2.760 -6.238 -3.088) 7.487 5.016 ( -2.760 6.238 -3.088) 7.487 5.117 ( -1.251 -4.948 -1.207) 5.244 5.117 ( -1.251 4.948 -1.207) 5.244 5.243 ( -3.084 -3.741 -5.710) 7.491 5.243 ( -3.084 3.741 -5.710) 7.491 5.318 ( -2.864 -0.568 -3.094) 4.255 5.318 ( -2.864 0.568 -3.094) 4.255 5.479 ( 0.292 -2.403 7.614) 7.989 5.479 ( 0.292 2.403 7.614) 7.989 5.636 ( -1.408 -3.550 -7.469) 8.389 5.636 ( -1.408 3.550 -7.469) 8.389 5.825 ( 4.746 -1.364 1.160) 5.072 5.825 ( 4.746 1.364 1.160) 5.072 5.975 ( 2.992 -3.301 -2.858) 5.293 5.975 ( 2.992 3.301 -2.858) 5.293 6.046 ( -0.839 -7.195 9.179) 11.693 6.046 ( -0.839 7.195 9.179) 11.693 6.196 ( 3.770 -6.178 -3.571) 8.070 6.196 ( 3.770 6.178 -3.571) 8.070 6.518 ( 0.352 -9.680 -0.894) 9.728 6.518 ( 0.352 9.680 -0.894) 9.728 6.627 ( -2.336 -2.814 -7.233) 8.105 6.627 ( -2.336 2.814 -7.233) 8.105 6.777 ( 4.611 -1.715 0.094) 4.920 6.777 ( 4.611 1.715 0.094) 4.920 6.845 ( 8.463 -2.666 6.721) 11.132 6.845 ( 8.463 2.666 6.721) 11.132 7.152 ( 0.702 -6.279 1.769) 6.561 7.152 ( 0.702 6.279 1.769) 6.561 7.298 ( -2.963 -5.445 2.832) 6.815 7.298 ( -2.963 5.445 2.832) 6.815 7.395 ( 0.886 -3.535 2.772) 4.578 7.395 ( 0.886 3.535 2.772) 4.578 7.737 ( 1.514 -2.664 -3.441) 4.608 7.737 ( 1.514 2.664 -3.441) 4.608 7.784 ( 5.577 -7.145 5.743) 10.731 7.784 ( 5.577 7.145 5.743) 10.731 7.875 ( -4.798 -2.279 2.621) 5.923 7.875 ( -4.798 2.279 2.621) 5.923 8.167 ( -4.877 -5.385 -3.457) 8.046 8.167 ( -4.877 5.385 -3.457) 8.046 8.250 ( 2.169 -3.278 -1.914) 4.372 8.250 ( 2.169 3.278 -1.914) 4.372 8.476 ( -1.997 -5.408 -6.816) 8.927 8.476 ( -1.997 5.408 -6.816) 8.927 8.675 ( -2.501 -2.334 4.881) 5.960 8.675 ( -2.501 2.334 4.881) 5.960 8.790 ( 2.606 -3.820 -2.780) 5.396 8.790 ( 2.606 3.820 -2.780) 5.396 9.001 ( 2.369 -6.668 2.759) 7.595 9.001 ( 2.369 6.668 2.759) 7.595 9.394 ( -2.636 -3.723 -2.912) 5.412 9.394 ( -2.636 3.723 -2.912) 5.412 9.628 ( -4.746 -4.557 3.041) 7.248 9.628 ( -4.746 4.557 3.041) 7.248 10.051 ( -6.558 -2.354 -1.685) 7.169 10.051 ( -6.558 2.354 -1.685) 7.169 10.390 ( -5.614 -6.544 0.993) 8.679 10.390 ( -5.614 6.544 0.993) 8.679 10.590 ( 3.040 -3.485 -1.219) 4.782 10.590 ( 3.040 3.485 -1.219) 4.782 11.018 ( 2.456 -6.530 0.466) 6.993 11.018 ( 2.456 6.530 0.466) 6.993 13.930 ( 2.547 -0.479 -0.730) 2.693 13.930 ( 2.547 0.479 -0.730) 2.693 14.118 ( -0.158 -3.723 -1.945) 4.203 14.118 ( -0.158 3.723 -1.945) 4.203 14.180 ( 0.956 -1.181 1.507) 2.140 14.180 ( 0.956 1.181 1.507) 2.140 14.490 ( 0.612 -0.910 -1.161) 1.597 14.490 ( 0.612 0.910 -1.161) 1.597 14.619 ( -2.970 -2.880 2.040) 4.613 14.619 ( -2.970 2.880 2.040) 4.613 14.719 ( 3.572 -3.546 3.014) 5.867 14.719 ( 3.572 3.546 3.014) 5.867 15.054 ( -2.695 -3.711 -1.391) 4.793 15.054 ( -2.695 3.711 -1.391) 4.793 15.216 ( -0.009 -1.513 0.591) 1.624 15.216 ( -0.009 1.513 0.591) 1.624 15.419 ( 1.621 -1.391 -1.698) 2.729 15.419 ( 1.621 1.391 -1.698) 2.729 15.541 ( -1.216 -1.698 1.043) 2.334 15.541 ( -1.216 1.698 1.043) 2.334 15.718 ( 1.569 -0.195 -2.861) 3.269 15.718 ( 1.569 0.195 -2.861) 3.269 16.029 ( 4.986 -2.814 1.470) 5.911 16.029 ( 4.986 2.814 1.470) 5.911 16.515 ( -9.432 -6.032 -1.529) 11.300 16.515 ( -9.432 6.032 -1.529) 11.300 16.992 ( -0.497 -3.621 1.279) 3.872 16.992 ( -0.497 3.621 1.279) 3.872 17.210 ( 1.001 -4.925 -0.108) 5.027 17.210 ( 1.001 4.925 -0.108) 5.027 17.566 ( 3.415 -6.595 1.960) 7.681 17.566 ( 3.415 6.595 1.960) 7.681 17.784 ( -0.359 -0.758 0.468) 0.961 17.784 ( -0.359 0.758 0.468) 0.961 18.070 ( 1.051 -0.248 -1.789) 2.090 18.070 ( 1.051 0.248 -1.789) 2.090 18.350 ( -0.310 -3.109 3.968) 5.050 18.350 ( -0.310 3.109 3.968) 5.050 18.714 ( -0.343 -1.033 -1.728) 2.042 18.714 ( -0.343 1.033 -1.728) 2.042 18.813 ( -3.442 -5.963 2.190) 7.225 18.813 ( -3.442 5.963 2.190) 7.225 19.085 ( 5.052 -6.032 -0.556) 7.888 19.085 ( 5.052 6.032 -0.556) 7.888 19.549 ( 2.121 -3.960 -0.747) 4.554 19.549 ( 2.121 3.960 -0.747) 4.554 19.807 ( -0.178 -1.077 -1.263) 1.670 19.807 ( -0.178 1.077 -1.263) 1.670 20.206 ( -3.853 -5.193 0.912) 6.530 20.206 ( -3.853 5.193 0.912) 6.530 20.535 ( 6.259 -3.775 -1.399) 7.442 20.535 ( 6.259 3.775 -1.399) 7.442 21.122 ( 1.340 -2.457 -1.033) 2.984 21.122 ( 1.340 2.457 -1.033) 2.984 21.266 ( 3.882 -1.015 1.313) 4.222 21.266 ( 3.882 1.015 1.313) 4.222 21.712 ( -0.256 -1.128 0.905) 1.469 21.712 ( -0.256 1.128 0.905) 1.469 21.861 ( -0.816 -1.733 1.393) 2.369 21.861 ( -0.816 1.733 1.393) 2.369 21.991 ( -3.069 -1.496 -2.187) 4.054 21.991 ( -3.069 1.496 -2.187) 4.054 22.348 ( -3.939 -2.755 -0.659) 4.851 22.348 ( -3.939 2.755 -0.659) 4.851 ======================= Grid point 77 (40/64) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 5.236 -11.406 4.823) 13.445 1.086 ( 5.236 11.406 4.823) 13.445 1.548 ( -6.435 -19.910 10.699) 23.501 1.548 ( -6.435 19.910 10.699) 23.501 1.855 ( -5.570 -3.298 1.831) 6.727 1.855 ( -5.570 3.298 1.831) 6.727 2.218 ( -0.116 -8.289 3.125) 8.859 2.218 ( -0.116 8.289 3.125) 8.859 2.484 ( 1.264 -2.677 -4.781) 5.623 2.484 ( 1.264 2.677 -4.781) 5.623 2.619 ( 1.973 -12.095 9.818) 15.702 2.619 ( 1.973 12.095 9.818) 15.702 2.743 ( 3.843 -9.851 -0.265) 10.577 2.743 ( 3.843 9.851 -0.265) 10.577 3.077 ( 7.998 -3.854 2.458) 9.212 3.077 ( 7.998 3.854 2.458) 9.212 3.182 ( -3.224 -11.557 -1.357) 12.075 3.182 ( -3.224 11.557 -1.357) 12.075 3.247 ( 0.904 -4.714 -2.372) 5.354 3.247 ( 0.904 4.714 -2.372) 5.354 3.506 ( -0.475 -5.121 2.413) 5.681 3.506 ( -0.475 5.121 2.413) 5.681 3.580 ( -0.459 -0.740 0.531) 1.020 3.580 ( -0.459 0.740 0.531) 1.020 3.691 ( -0.243 -5.656 -7.021) 9.019 3.691 ( -0.243 5.656 -7.021) 9.019 3.827 ( 1.948 -3.679 4.633) 6.228 3.827 ( 1.948 3.679 4.633) 6.228 3.937 ( -1.785 -5.686 -6.858) 9.086 3.937 ( -1.785 5.686 -6.858) 9.086 4.070 ( 3.152 -4.743 -0.297) 5.703 4.070 ( 3.152 4.743 -0.297) 5.703 4.232 ( -3.711 -4.878 -3.989) 7.313 4.232 ( -3.711 4.878 -3.989) 7.313 4.398 ( 3.349 -7.317 -6.201) 10.159 4.398 ( 3.349 7.317 -6.201) 10.159 4.544 ( -6.420 -6.236 2.515) 9.297 4.544 ( -6.420 6.236 2.515) 9.297 4.696 ( -1.774 -5.801 -2.512) 6.566 4.696 ( -1.774 5.801 -2.512) 6.566 4.927 ( -6.952 -7.747 -2.741) 10.763 4.927 ( -6.952 7.747 -2.741) 10.763 5.039 ( -4.152 -4.082 5.084) 7.730 5.039 ( -4.152 4.082 5.084) 7.730 5.246 ( 3.567 -7.506 -1.610) 8.465 5.246 ( 3.567 7.506 -1.610) 8.465 5.319 ( 2.809 -1.192 1.297) 3.316 5.319 ( 2.809 1.192 1.297) 3.316 5.451 ( -3.251 -4.636 9.055) 10.679 5.451 ( -3.251 4.636 9.055) 10.679 5.619 ( -0.205 -2.381 -4.071) 4.720 5.619 ( -0.205 2.381 -4.071) 4.720 5.867 ( -1.507 -4.510 -3.685) 6.016 5.867 ( -1.507 4.510 -3.685) 6.016 6.023 ( 2.055 -6.068 2.400) 6.841 6.023 ( 2.055 6.068 2.400) 6.841 6.100 ( 2.338 -3.530 7.914) 8.975 6.100 ( 2.338 3.530 7.914) 8.975 6.304 ( 7.686 -3.466 -9.821) 12.943 6.304 ( 7.686 3.466 -9.821) 12.943 6.465 ( -2.763 -8.194 -1.330) 8.749 6.465 ( -2.763 8.194 -1.330) 8.749 6.635 ( 1.151 -4.095 -3.740) 5.664 6.635 ( 1.151 4.095 -3.740) 5.664 6.832 ( 5.104 -5.396 0.567) 7.449 6.832 ( 5.104 5.396 0.567) 7.449 7.030 ( 3.910 -5.110 -4.026) 7.590 7.030 ( 3.910 5.110 -4.026) 7.590 7.173 ( -2.600 -5.215 0.482) 5.847 7.173 ( -2.600 5.215 0.482) 5.847 7.302 ( 3.286 -2.068 1.900) 4.322 7.302 ( 3.286 2.068 1.900) 4.322 7.374 ( 0.901 -3.378 9.088) 9.737 7.374 ( 0.901 3.378 9.088) 9.737 7.683 ( -5.879 -1.748 -2.065) 6.472 7.683 ( -5.879 1.748 -2.065) 6.472 7.790 ( -2.235 -6.400 5.516) 8.739 7.790 ( -2.235 6.400 5.516) 8.739 7.928 ( 3.507 -1.421 -8.754) 9.536 7.928 ( 3.507 1.421 -8.754) 9.536 8.136 ( 1.614 -1.538 -6.524) 6.894 8.136 ( 1.614 1.538 -6.524) 6.894 8.267 ( 1.639 -3.652 2.021) 4.485 8.267 ( 1.639 3.652 2.021) 4.485 8.485 ( 3.369 -3.811 -0.476) 5.109 8.485 ( 3.369 3.811 -0.476) 5.109 8.638 ( -1.143 -1.400 6.999) 7.229 8.638 ( -1.143 1.400 6.999) 7.229 8.759 ( -4.757 -2.247 0.265) 5.267 8.759 ( -4.757 2.247 0.265) 5.267 9.060 ( 1.580 -7.528 1.004) 7.757 9.060 ( 1.580 7.528 1.004) 7.757 9.287 ( -6.652 -1.955 1.852) 7.177 9.287 ( -6.652 1.955 1.852) 7.177 9.549 ( -2.312 -3.323 -1.518) 4.323 9.549 ( -2.312 3.323 -1.518) 4.323 9.899 ( -7.425 -2.266 0.260) 7.767 9.899 ( -7.425 2.266 0.260) 7.767 10.225 ( -6.171 -2.829 0.694) 6.823 10.225 ( -6.171 2.829 0.694) 6.823 10.710 ( 6.035 -2.491 -2.702) 7.066 10.710 ( 6.035 2.491 -2.702) 7.066 11.040 ( -0.406 -5.103 0.478) 5.141 11.040 ( -0.406 5.103 0.478) 5.141 14.002 ( 3.716 -2.561 -0.790) 4.581 14.002 ( 3.716 2.561 -0.790) 4.581 14.118 ( 0.179 -4.347 -0.644) 4.398 14.118 ( 0.179 4.347 -0.644) 4.398 14.216 ( 2.579 -1.158 2.325) 3.660 14.216 ( 2.579 1.158 2.325) 3.660 14.460 ( -3.243 -0.268 -1.190) 3.465 14.460 ( -3.243 0.268 -1.190) 3.465 14.585 ( -0.451 -1.787 1.897) 2.644 14.585 ( -0.451 1.787 1.897) 2.644 14.809 ( 3.369 -4.040 3.777) 6.476 14.809 ( 3.369 4.040 3.777) 6.476 15.004 ( -1.878 -4.777 -1.532) 5.357 15.004 ( -1.878 4.777 -1.532) 5.357 15.212 ( 0.158 -1.916 -0.288) 1.944 15.212 ( 0.158 1.916 -0.288) 1.944 15.380 ( -3.924 -5.412 -3.765) 7.672 15.380 ( -3.924 5.412 -3.765) 7.672 15.516 ( -0.036 -2.780 -3.797) 4.706 15.516 ( -0.036 2.780 -3.797) 4.706 15.817 ( 5.538 -1.699 3.172) 6.604 15.817 ( 5.538 1.699 3.172) 6.604 16.147 ( 4.134 -5.354 2.699) 7.284 16.147 ( 4.134 5.354 2.699) 7.284 16.329 ( -5.412 -3.199 -1.754) 6.527 16.329 ( -5.412 3.199 -1.754) 6.527 16.888 ( -7.459 -4.827 1.126) 8.956 16.888 ( -7.459 4.827 1.126) 8.956 17.323 ( 7.402 -10.167 -0.615) 12.591 17.323 ( 7.402 10.167 -0.615) 12.591 17.632 ( 2.181 -6.238 -1.127) 6.704 17.632 ( 2.181 6.238 -1.127) 6.704 17.785 ( 0.620 -0.871 0.645) 1.249 17.785 ( 0.620 0.871 0.645) 1.249 18.066 ( -1.180 -0.853 -0.544) 1.554 18.066 ( -1.180 0.853 -0.544) 1.554 18.355 ( 0.301 -3.082 3.736) 4.853 18.355 ( 0.301 3.082 3.736) 4.853 18.689 ( -2.520 -2.481 -0.038) 3.537 18.689 ( -2.520 2.481 -0.038) 3.537 18.749 ( -2.026 -3.546 2.173) 4.626 18.749 ( -2.026 3.546 2.173) 4.626 19.189 ( 3.885 -3.908 0.781) 5.565 19.189 ( 3.885 3.908 0.781) 5.565 19.606 ( 2.874 -4.883 -0.213) 5.670 19.606 ( 2.874 4.883 -0.213) 5.670 19.790 ( -0.834 -1.797 -1.741) 2.637 19.790 ( -0.834 1.797 -1.741) 2.637 20.156 ( -0.922 -5.254 0.102) 5.336 20.156 ( -0.922 5.254 0.102) 5.336 20.652 ( 4.540 -3.121 -3.033) 6.289 20.652 ( 4.540 3.121 -3.033) 6.289 21.136 ( 0.590 -2.704 0.226) 2.777 21.136 ( 0.590 2.704 0.226) 2.777 21.397 ( 7.022 -2.463 0.898) 7.495 21.397 ( 7.022 2.463 0.898) 7.495 21.723 ( 0.787 -1.691 2.014) 2.745 21.723 ( 0.787 1.691 2.014) 2.745 21.830 ( -2.534 -2.385 -0.703) 3.551 21.830 ( -2.534 2.385 -0.703) 3.551 21.909 ( -2.853 -1.126 -1.786) 3.549 21.909 ( -2.853 1.126 -1.786) 3.549 22.229 ( -6.699 -2.378 -0.405) 7.120 22.229 ( -6.699 2.378 -0.405) 7.120 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.519 0.000 23.335) 23.599 1.054 ( 4.880 0.000 23.048) 23.559 1.516 ( -0.408 0.000 -12.193) 12.200 1.564 ( -1.364 0.000 -20.801) 20.846 2.014 ( 13.071 0.000 19.058) 23.109 2.018 ( -13.627 0.000 3.229) 14.005 2.263 ( -7.193 0.000 0.569) 7.216 2.325 ( -3.729 0.000 -2.406) 4.438 2.379 ( 1.153 0.000 18.399) 18.435 2.424 ( 6.454 0.000 15.939) 17.196 2.623 ( -4.662 0.000 1.870) 5.023 2.639 ( -0.146 0.000 -4.908) 4.910 2.779 ( 0.006 0.000 14.282) 14.282 2.841 ( -1.165 0.000 -1.503) 1.901 3.026 ( 2.129 0.000 -3.418) 4.027 3.043 ( -2.544 0.000 -1.260) 2.839 3.107 ( -0.699 0.000 1.516) 1.669 3.135 ( 3.032 0.000 -2.116) 3.697 3.378 ( 7.796 0.000 0.517) 7.813 3.448 ( -13.722 0.000 -4.793) 14.535 3.474 ( 2.770 0.000 -1.391) 3.100 3.483 ( 3.019 0.000 -5.168) 5.986 3.537 ( 6.545 0.000 -2.604) 7.044 3.603 ( -3.019 0.000 -4.675) 5.565 3.636 ( -0.439 0.000 7.964) 7.976 3.735 ( 0.054 0.000 -3.094) 3.095 3.756 ( 0.091 0.000 0.676) 0.682 3.787 ( 0.514 0.000 -3.854) 3.888 3.790 ( -3.577 0.000 -10.742) 11.322 3.914 ( 1.724 0.000 -13.029) 13.143 4.026 ( -4.033 0.000 3.248) 5.178 4.149 ( 2.909 0.000 -9.293) 9.738 4.209 ( -2.546 0.000 4.036) 4.772 4.251 ( 1.936 0.000 0.122) 1.940 4.392 ( 1.226 0.000 2.015) 2.358 4.509 ( 4.854 0.000 -9.614) 10.770 4.619 ( 0.291 0.000 6.692) 6.699 4.783 ( 0.107 0.000 -9.270) 9.271 4.822 ( 7.218 0.000 14.129) 15.866 4.909 ( -1.374 0.000 12.241) 12.318 4.994 ( -6.861 0.000 -6.387) 9.373 5.113 ( 1.456 0.000 0.067) 1.457 5.117 ( -4.027 0.000 6.756) 7.865 5.175 ( 1.510 0.000 -7.594) 7.743 5.283 ( -10.174 0.000 6.015) 11.819 5.289 ( 3.792 0.000 4.359) 5.778 5.429 ( -3.251 0.000 2.570) 4.144 5.480 ( -0.275 0.000 0.537) 0.603 5.500 ( 0.764 0.000 -3.972) 4.045 5.584 ( 5.826 0.000 -7.925) 9.836 5.676 ( 1.896 0.000 1.590) 2.475 5.775 ( -7.255 0.000 -8.709) 11.334 5.793 ( 2.889 0.000 3.071) 4.216 5.934 ( 0.789 0.000 -8.815) 8.850 5.939 ( 4.788 0.000 1.611) 5.052 5.990 ( -2.155 0.000 -5.041) 5.482 6.139 ( -3.848 0.000 -2.055) 4.362 6.144 ( -0.925 0.000 2.645) 2.802 6.267 ( -6.481 0.000 -4.847) 8.093 6.307 ( 0.464 0.000 0.653) 0.801 6.317 ( 4.450 0.000 -1.070) 4.577 6.360 ( 6.218 0.000 -6.863) 9.261 6.712 ( -4.247 0.000 5.668) 7.083 6.747 ( -2.660 0.000 -0.621) 2.731 6.897 ( -9.390 0.000 8.083) 12.389 6.913 ( -0.332 0.000 7.484) 7.492 7.042 ( 11.669 0.000 9.401) 14.985 7.106 ( -2.980 0.000 1.400) 3.293 7.238 ( 4.624 0.000 -5.696) 7.336 7.303 ( -4.806 0.000 4.859) 6.835 7.304 ( 6.635 0.000 4.857) 8.222 7.369 ( -4.511 0.000 -11.318) 12.184 7.428 ( 10.164 0.000 -0.313) 10.169 7.475 ( -6.449 0.000 -0.893) 6.511 7.546 ( 4.918 0.000 -1.052) 5.029 7.581 ( 3.061 0.000 -5.514) 6.307 7.724 ( -0.933 0.000 0.061) 0.935 7.793 ( -5.157 0.000 -5.417) 7.479 7.890 ( 3.634 0.000 2.899) 4.649 7.911 ( 0.771 0.000 5.410) 5.465 8.066 ( 1.541 0.000 4.267) 4.537 8.126 ( -0.539 0.000 -0.712) 0.893 8.230 ( -7.880 0.000 0.197) 7.883 8.255 ( 3.727 0.000 0.666) 3.786 8.295 ( 8.978 0.000 -0.080) 8.979 8.296 ( -1.548 0.000 2.104) 2.612 8.440 ( -1.792 0.000 -2.263) 2.886 8.452 ( 3.467 0.000 -3.321) 4.801 8.741 ( -2.225 0.000 0.737) 2.344 8.746 ( 1.816 0.000 2.257) 2.897 8.895 ( -0.436 0.000 -0.698) 0.823 8.935 ( -5.642 0.000 -2.842) 6.317 9.064 ( -6.235 0.000 6.544) 9.039 9.210 ( 4.764 0.000 -8.421) 9.675 9.673 ( 4.024 0.000 4.451) 6.001 9.676 ( -1.848 0.000 5.866) 6.150 9.815 ( -1.905 0.000 -5.572) 5.889 9.815 ( 0.666 0.000 -3.544) 3.606 10.203 ( -19.464 0.000 3.979) 19.866 10.287 ( 10.016 0.000 -4.639) 11.038 10.649 ( -0.128 0.000 7.966) 7.967 10.792 ( 0.220 0.000 -6.701) 6.705 10.919 ( 3.876 0.000 6.169) 7.286 11.027 ( -4.100 0.000 -4.953) 6.430 13.837 ( -1.860 0.000 0.168) 1.868 13.845 ( 1.563 0.000 -0.581) 1.668 14.010 ( 2.719 0.000 3.841) 4.706 14.082 ( -2.802 0.000 -3.520) 4.499 14.265 ( 1.168 0.000 1.421) 1.840 14.289 ( 2.731 0.000 0.150) 2.735 14.364 ( 3.397 0.000 0.932) 3.522 14.423 ( -6.244 0.000 -3.987) 7.408 14.615 ( -2.706 0.000 3.124) 4.133 14.682 ( 0.714 0.000 -3.490) 3.562 14.753 ( -0.731 0.000 5.360) 5.409 14.832 ( 0.178 0.000 -2.428) 2.435 15.058 ( -5.422 0.000 2.972) 6.183 15.118 ( 7.182 0.000 -2.027) 7.463 15.177 ( -0.326 0.000 -0.391) 0.509 15.211 ( 3.223 0.000 -1.747) 3.666 15.388 ( 1.006 0.000 4.341) 4.456 15.477 ( -4.057 0.000 -4.491) 6.052 15.500 ( -2.176 0.000 1.203) 2.487 15.568 ( 0.376 0.000 -5.260) 5.273 15.709 ( 4.750 0.000 4.811) 6.761 15.810 ( -2.650 0.000 -5.312) 5.937 16.019 ( 16.964 0.000 2.454) 17.141 16.080 ( -13.378 0.000 -3.746) 13.892 16.484 ( 9.699 0.000 5.388) 11.095 16.548 ( -12.265 0.000 -0.637) 12.282 16.645 ( 8.348 0.000 12.356) 14.912 16.873 ( -3.574 0.000 -10.462) 11.056 17.117 ( 14.142 0.000 6.169) 15.429 17.263 ( -5.817 0.000 -7.986) 9.880 17.758 ( 4.486 0.000 1.428) 4.708 17.787 ( -5.882 0.000 -1.202) 6.004 17.833 ( 0.464 0.000 0.757) 0.888 17.849 ( 1.146 0.000 -1.031) 1.542 18.170 ( -2.950 0.000 0.731) 3.039 18.179 ( 4.126 0.000 -0.420) 4.148 18.352 ( 1.227 0.000 2.688) 2.955 18.357 ( -1.056 0.000 1.813) 2.098 18.557 ( 5.415 0.000 0.808) 5.475 18.600 ( -2.273 0.000 -3.607) 4.264 18.783 ( 2.302 0.000 4.266) 4.847 18.864 ( -0.826 0.000 -3.769) 3.859 19.158 ( 4.945 0.000 1.382) 5.134 19.188 ( -13.502 0.000 -1.638) 13.601 19.487 ( -8.526 0.000 1.959) 8.748 19.524 ( 9.159 0.000 -1.767) 9.327 19.711 ( -5.145 0.000 3.533) 6.241 19.778 ( 4.011 0.000 -3.448) 5.290 20.440 ( 2.748 0.000 0.438) 2.782 20.460 ( -5.491 0.000 -1.574) 5.712 20.658 ( -4.136 0.000 4.099) 5.823 20.743 ( 4.715 0.000 -4.742) 6.687 21.117 ( 0.443 0.000 4.601) 4.622 21.199 ( 1.015 0.000 -4.045) 4.170 21.447 ( 8.572 0.000 1.673) 8.734 21.473 ( -15.984 0.000 -1.089) 16.021 21.669 ( -3.108 0.000 1.746) 3.565 21.695 ( 2.357 0.000 -0.751) 2.474 21.834 ( 0.208 0.000 0.850) 0.875 21.836 ( -1.756 0.000 0.607) 1.858 21.884 ( 9.256 0.000 -0.791) 9.290 21.894 ( -1.481 0.000 -1.622) 2.197 22.138 ( 0.976 0.000 1.023) 1.414 22.158 ( -2.896 0.000 -1.064) 3.085 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.697 0.000 16.259) 20.629 1.336 ( 17.243 0.000 7.654) 18.865 1.546 ( 2.414 0.000 -16.192) 16.371 1.596 ( 6.801 0.000 -10.781) 12.747 1.854 ( 2.501 0.000 11.612) 11.878 2.068 ( -7.807 0.000 1.584) 7.966 2.209 ( -7.145 0.000 1.039) 7.220 2.418 ( 17.753 0.000 13.725) 22.440 2.442 ( 2.099 0.000 14.991) 15.137 2.602 ( 1.813 0.000 0.579) 1.903 2.624 ( 1.486 0.000 -5.851) 6.037 2.683 ( 10.496 0.000 13.201) 16.865 2.749 ( -4.686 0.000 7.668) 8.987 2.782 ( -3.504 0.000 -0.208) 3.511 2.989 ( -7.325 0.000 -1.151) 7.414 3.001 ( -3.202 0.000 4.686) 5.676 3.078 ( 1.667 0.000 5.172) 5.434 3.162 ( -7.814 0.000 -8.277) 11.383 3.211 ( 2.054 0.000 -1.665) 2.643 3.409 ( -1.335 0.000 0.229) 1.354 3.502 ( -5.689 0.000 -10.766) 12.177 3.509 ( -1.396 0.000 1.649) 2.161 3.536 ( -7.396 0.000 -2.702) 7.874 3.553 ( -6.046 0.000 -2.893) 6.702 3.660 ( -0.412 0.000 1.038) 1.117 3.698 ( 5.313 0.000 -5.148) 7.398 3.722 ( 0.100 0.000 -4.107) 4.108 3.722 ( -1.551 0.000 3.571) 3.893 3.798 ( 5.229 0.000 -2.542) 5.815 3.958 ( 6.438 0.000 -14.379) 15.755 4.090 ( 7.980 0.000 4.871) 9.349 4.151 ( -1.152 0.000 -7.212) 7.304 4.178 ( -1.516 0.000 10.435) 10.544 4.342 ( -4.939 0.000 -3.457) 6.029 4.370 ( 5.414 0.000 -8.583) 10.148 4.633 ( 7.538 0.000 -12.406) 14.517 4.703 ( 3.580 0.000 5.700) 6.731 4.750 ( -1.181 0.000 0.294) 1.217 4.794 ( -6.997 0.000 -11.508) 13.468 4.901 ( -5.709 0.000 14.289) 15.387 4.958 ( 4.276 0.000 12.617) 13.322 5.066 ( -6.840 0.000 6.507) 9.440 5.095 ( 4.506 0.000 0.294) 4.516 5.179 ( -1.419 0.000 -0.530) 1.515 5.220 ( 3.359 0.000 -8.055) 8.727 5.290 ( -8.923 0.000 3.231) 9.489 5.378 ( 1.883 0.000 2.899) 3.457 5.439 ( -1.211 0.000 2.812) 3.061 5.495 ( -1.840 0.000 -0.889) 2.044 5.623 ( -3.370 0.000 1.188) 3.573 5.649 ( -5.036 0.000 0.505) 5.061 5.753 ( 6.613 0.000 -0.148) 6.614 5.812 ( -3.028 0.000 -2.830) 4.145 5.895 ( -1.218 0.000 -8.775) 8.859 5.897 ( -2.724 0.000 -4.078) 4.904 5.993 ( 0.347 0.000 -3.434) 3.452 6.052 ( -4.808 0.000 6.643) 8.201 6.163 ( 3.176 0.000 6.376) 7.123 6.195 ( 0.231 0.000 -2.260) 2.271 6.345 ( -0.499 0.000 -5.456) 5.479 6.366 ( 3.064 0.000 -4.986) 5.852 6.469 ( 3.274 0.000 0.603) 3.329 6.614 ( -3.251 0.000 5.849) 6.692 6.646 ( 0.834 0.000 4.844) 4.915 6.860 ( -0.732 0.000 4.805) 4.860 6.914 ( -1.405 0.000 5.844) 6.010 7.050 ( -2.079 0.000 -11.390) 11.578 7.155 ( -7.531 0.000 -5.040) 9.062 7.214 ( 3.413 0.000 8.323) 8.996 7.261 ( -3.127 0.000 -3.711) 4.853 7.290 ( 0.160 0.000 1.100) 1.112 7.357 ( -0.578 0.000 -2.410) 2.479 7.495 ( 2.913 0.000 2.725) 3.989 7.519 ( -0.720 0.000 -3.057) 3.141 7.682 ( 5.621 0.000 -3.892) 6.837 7.691 ( 2.144 0.000 -2.146) 3.033 7.760 ( 3.017 0.000 -1.612) 3.421 7.793 ( 6.380 0.000 -2.082) 6.711 7.844 ( -2.003 0.000 5.027) 5.412 7.909 ( -0.213 0.000 8.174) 8.177 8.074 ( -2.334 0.000 -0.668) 2.428 8.105 ( -8.146 0.000 0.083) 8.147 8.129 ( -0.520 0.000 -0.930) 1.066 8.214 ( 6.176 0.000 -4.183) 7.459 8.364 ( -1.103 0.000 -3.842) 3.997 8.459 ( 3.116 0.000 -4.728) 5.662 8.507 ( 2.496 0.000 -2.622) 3.620 8.508 ( 10.394 0.000 -2.552) 10.703 8.658 ( -2.624 0.000 2.321) 3.503 8.697 ( -4.124 0.000 3.469) 5.389 8.842 ( -4.325 0.000 -0.990) 4.437 8.888 ( 1.068 0.000 1.379) 1.744 9.058 ( 1.397 0.000 6.744) 6.887 9.373 ( 10.798 0.000 -2.775) 11.149 9.541 ( -9.103 0.000 4.445) 10.130 9.761 ( -3.143 0.000 0.274) 3.155 9.776 ( 1.320 0.000 -2.788) 3.085 9.818 ( 4.559 0.000 1.284) 4.736 10.077 ( 4.626 0.000 4.290) 6.309 10.494 ( 3.368 0.000 -0.914) 3.490 10.657 ( -1.669 0.000 5.981) 6.209 10.811 ( 6.575 0.000 0.038) 6.575 10.947 ( -2.563 0.000 -6.355) 6.853 11.025 ( 4.922 0.000 6.905) 8.480 13.797 ( -1.695 0.000 0.035) 1.695 13.855 ( -0.684 0.000 0.141) 0.698 14.014 ( -2.797 0.000 -3.899) 4.798 14.062 ( 0.796 0.000 3.676) 3.761 14.234 ( -4.109 0.000 -2.757) 4.948 14.284 ( -0.697 0.000 -2.990) 3.070 14.357 ( 1.770 0.000 -0.094) 1.773 14.483 ( 3.278 0.000 4.847) 5.851 14.582 ( -0.301 0.000 1.945) 1.968 14.690 ( 0.417 0.000 -0.243) 0.483 14.756 ( 1.766 0.000 6.678) 6.908 14.817 ( -1.424 0.000 -3.376) 3.664 14.934 ( -6.902 0.000 0.794) 6.948 15.175 ( 0.088 0.000 -2.555) 2.557 15.228 ( 3.893 0.000 -2.970) 4.897 15.237 ( 0.099 0.000 -4.914) 4.915 15.375 ( -4.357 0.000 -2.337) 4.944 15.418 ( 1.241 0.000 6.469) 6.587 15.479 ( -0.143 0.000 3.250) 3.253 15.577 ( 0.917 0.000 -2.151) 2.338 15.696 ( -6.403 0.000 -7.441) 9.817 15.757 ( 0.410 0.000 3.826) 3.848 15.862 ( -5.738 0.000 -2.618) 6.307 16.195 ( -8.750 0.000 -0.873) 8.794 16.429 ( 6.587 0.000 -0.735) 6.628 16.669 ( 5.053 0.000 4.743) 6.930 16.797 ( 1.022 0.000 -12.729) 12.770 16.875 ( 10.178 0.000 8.699) 13.389 17.098 ( -4.812 0.000 -10.692) 11.725 17.344 ( 5.873 0.000 -3.481) 6.827 17.687 ( -3.272 0.000 -1.065) 3.441 17.802 ( -2.857 0.000 2.789) 3.992 17.858 ( 2.934 0.000 1.800) 3.442 17.862 ( 0.134 0.000 -3.451) 3.454 18.101 ( -3.573 0.000 0.186) 3.578 18.237 ( 0.575 0.000 -0.623) 0.848 18.351 ( 0.328 0.000 -0.026) 0.329 18.351 ( -3.419 0.000 4.022) 5.279 18.573 ( 0.346 0.000 -3.622) 3.639 18.663 ( -6.671 0.000 4.712) 8.167 18.740 ( -8.800 0.000 5.795) 10.537 18.837 ( -0.981 0.000 -5.051) 5.145 18.941 ( 8.646 0.000 -1.537) 8.782 19.185 ( -1.575 0.000 4.212) 4.497 19.421 ( -0.179 0.000 -0.887) 0.905 19.612 ( -3.046 0.000 4.437) 5.382 19.743 ( 8.304 0.000 -1.380) 8.417 19.863 ( 4.405 0.000 -1.533) 4.664 20.255 ( -10.918 0.000 2.331) 11.164 20.388 ( -5.178 0.000 3.528) 6.266 20.578 ( -5.125 0.000 1.502) 5.340 20.795 ( -0.003 0.000 -3.879) 3.879 21.087 ( -2.630 0.000 3.004) 3.992 21.176 ( -1.577 0.000 -3.578) 3.910 21.270 ( -3.920 0.000 3.259) 5.097 21.490 ( -7.169 0.000 2.909) 7.736 21.717 ( 8.429 0.000 3.023) 8.955 21.731 ( 1.603 0.000 -0.165) 1.612 21.810 ( -1.027 0.000 1.474) 1.796 21.825 ( 1.604 0.000 -1.979) 2.548 21.882 ( 0.170 0.000 -1.530) 1.539 22.017 ( 3.554 0.000 -3.194) 4.778 22.234 ( 6.088 0.000 3.060) 6.813 22.247 ( 7.945 0.000 -3.546) 8.700 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 6.429 0.000 -5.607) 8.530 1.652 ( 8.415 0.000 -16.066) 18.136 1.715 ( 13.154 0.000 13.656) 18.961 1.776 ( 8.523 0.000 14.318) 16.662 1.987 ( -3.486 0.000 5.999) 6.938 2.035 ( 7.523 0.000 -3.303) 8.216 2.129 ( 7.123 0.000 7.342) 10.230 2.471 ( -10.864 0.000 -10.516) 15.120 2.508 ( -0.113 0.000 4.460) 4.461 2.615 ( -0.179 0.000 -5.497) 5.500 2.619 ( -4.952 0.000 8.950) 10.229 2.658 ( 0.958 0.000 1.473) 1.757 2.806 ( -1.916 0.000 0.790) 2.072 2.825 ( 3.037 0.000 8.170) 8.716 2.965 ( -0.739 0.000 -6.772) 6.813 2.969 ( -0.175 0.000 4.947) 4.951 3.054 ( 6.888 0.000 15.968) 17.390 3.215 ( 5.477 0.000 2.117) 5.872 3.226 ( -0.402 0.000 -1.111) 1.182 3.292 ( -6.999 0.000 -4.450) 8.294 3.327 ( -9.449 0.000 2.177) 9.696 3.390 ( -2.044 0.000 2.301) 3.078 3.415 ( -0.601 0.000 -8.830) 8.850 3.493 ( -2.070 0.000 -3.939) 4.450 3.622 ( -4.530 0.000 -2.103) 4.995 3.684 ( -0.662 0.000 10.946) 10.966 3.735 ( 0.220 0.000 -6.851) 6.855 3.787 ( 1.270 0.000 0.779) 1.490 3.943 ( 7.497 0.000 -5.371) 9.223 4.064 ( 1.689 0.000 -9.341) 9.492 4.108 ( -2.713 0.000 -12.200) 12.498 4.134 ( -0.543 0.000 0.194) 0.577 4.259 ( -1.154 0.000 -3.920) 4.086 4.351 ( 12.321 0.000 8.907) 15.203 4.427 ( 0.235 0.000 -6.962) 6.966 4.544 ( -0.998 0.000 -8.264) 8.324 4.745 ( 0.301 0.000 1.210) 1.247 4.773 ( -6.626 0.000 11.434) 13.215 4.798 ( 4.467 0.000 -3.259) 5.529 4.852 ( 3.156 0.000 -1.611) 3.544 4.976 ( -4.578 0.000 6.985) 8.351 5.007 ( -8.743 0.000 3.382) 9.374 5.048 ( -0.718 0.000 6.284) 6.325 5.094 ( -4.951 0.000 -2.731) 5.654 5.222 ( 2.320 0.000 -6.770) 7.156 5.236 ( 0.604 0.000 -1.203) 1.346 5.385 ( -0.397 0.000 6.035) 6.048 5.441 ( -1.365 0.000 2.673) 3.001 5.473 ( -1.152 0.000 -5.244) 5.369 5.592 ( -0.050 0.000 1.575) 1.576 5.612 ( 4.319 0.000 -0.909) 4.414 5.738 ( -0.831 0.000 -6.189) 6.245 5.810 ( -7.178 0.000 7.360) 10.281 5.813 ( -2.969 0.000 -3.324) 4.457 5.932 ( -0.287 0.000 -0.634) 0.696 5.937 ( 6.987 0.000 3.539) 7.832 6.084 ( -6.856 0.000 6.376) 9.363 6.099 ( 4.953 0.000 -1.762) 5.257 6.248 ( 4.675 0.000 -1.185) 4.823 6.419 ( 0.475 0.000 -0.923) 1.038 6.432 ( 3.967 0.000 -5.468) 6.755 6.556 ( 8.246 0.000 8.187) 11.620 6.593 ( -0.504 0.000 4.594) 4.621 6.715 ( -1.311 0.000 -1.829) 2.250 6.848 ( 4.741 0.000 -3.946) 6.168 6.902 ( -0.628 0.000 2.955) 3.021 6.915 ( -7.298 0.000 -5.702) 9.261 7.141 ( 1.425 0.000 -13.113) 13.190 7.193 ( 1.236 0.000 1.128) 1.674 7.200 ( -8.551 0.000 8.127) 11.796 7.261 ( -3.237 0.000 -0.569) 3.287 7.335 ( -0.717 0.000 -3.000) 3.084 7.422 ( -3.529 0.000 -0.135) 3.531 7.448 ( -4.488 0.000 -2.211) 5.003 7.690 ( -1.968 0.000 0.251) 1.984 7.693 ( -3.610 0.000 -0.961) 3.736 7.833 ( 2.216 0.000 0.890) 2.388 7.841 ( 0.316 0.000 1.552) 1.584 7.958 ( 8.820 0.000 -3.382) 9.446 7.983 ( 2.438 0.000 5.064) 5.621 7.991 ( 0.181 0.000 8.110) 8.112 8.069 ( -0.023 0.000 11.875) 11.875 8.168 ( 4.298 0.000 -9.983) 10.869 8.230 ( -3.528 0.000 -7.116) 7.942 8.417 ( -2.509 0.000 6.022) 6.524 8.439 ( 6.932 0.000 -0.235) 6.936 8.530 ( -1.945 0.000 -5.953) 6.263 8.602 ( 0.953 0.000 -6.692) 6.759 8.652 ( -0.708 0.000 1.748) 1.886 8.668 ( -5.202 0.000 0.462) 5.222 8.763 ( 2.900 0.000 1.454) 3.244 8.946 ( 2.780 0.000 -5.120) 5.826 9.107 ( 3.556 0.000 6.420) 7.339 9.401 ( -4.340 0.000 -0.131) 4.342 9.588 ( 4.454 0.000 -1.158) 4.602 9.713 ( -3.347 0.000 -6.592) 7.393 9.715 ( 3.410 0.000 6.557) 7.391 10.023 ( 11.099 0.000 2.311) 11.337 10.245 ( 8.098 0.000 1.852) 8.307 10.378 ( -9.781 0.000 -4.898) 10.939 10.599 ( -3.832 0.000 3.390) 5.116 10.834 ( -5.227 0.000 -5.394) 7.511 11.072 ( 10.181 0.000 6.778) 12.231 11.142 ( 4.932 0.000 5.910) 7.698 13.775 ( -0.231 0.000 -0.478) 0.531 13.820 ( -2.313 0.000 0.241) 2.325 13.962 ( -1.296 0.000 -3.067) 3.329 14.018 ( -4.238 0.000 -0.083) 4.239 14.204 ( 1.144 0.000 0.583) 1.284 14.272 ( 0.068 0.000 -2.701) 2.702 14.424 ( 3.793 0.000 0.962) 3.913 14.487 ( -1.328 0.000 4.435) 4.629 14.615 ( 2.258 0.000 0.050) 2.259 14.687 ( -1.111 0.000 0.648) 1.287 14.771 ( -1.899 0.000 -3.565) 4.039 14.777 ( -6.361 0.000 1.199) 6.473 14.876 ( 5.512 0.000 6.287) 8.361 15.155 ( -1.160 0.000 -7.608) 7.696 15.217 ( -0.724 0.000 -2.116) 2.236 15.239 ( -2.117 0.000 -1.394) 2.534 15.352 ( 2.187 0.000 1.376) 2.584 15.448 ( -0.106 0.000 1.582) 1.586 15.500 ( 1.711 0.000 1.915) 2.568 15.585 ( 0.049 0.000 -1.368) 1.369 15.610 ( 0.580 0.000 -2.010) 2.092 15.762 ( -0.253 0.000 2.712) 2.724 15.777 ( -2.898 0.000 -0.762) 2.997 15.944 ( -11.982 0.000 -0.730) 12.004 16.481 ( -1.224 0.000 -5.366) 5.504 16.632 ( -6.548 0.000 -6.121) 8.963 16.943 ( 12.219 0.000 -3.856) 12.813 17.043 ( 5.928 0.000 7.919) 9.892 17.174 ( 8.727 0.000 -0.808) 8.764 17.385 ( -0.352 0.000 -6.312) 6.321 17.609 ( -4.353 0.000 -2.205) 4.879 17.684 ( -9.171 0.000 8.098) 12.235 17.867 ( 2.222 0.000 -4.447) 4.971 17.908 ( 1.224 0.000 2.448) 2.737 18.034 ( -2.482 0.000 -0.109) 2.484 18.098 ( -11.677 0.000 6.769) 13.497 18.277 ( -0.855 0.000 2.966) 3.087 18.360 ( 0.456 0.000 -3.017) 3.051 18.524 ( -1.402 0.000 10.177) 10.273 18.599 ( 2.520 0.000 -2.211) 3.352 18.746 ( 0.429 0.000 -0.606) 0.743 18.804 ( -1.292 0.000 -5.384) 5.536 19.133 ( 7.401 0.000 -9.472) 12.021 19.140 ( -3.081 0.000 5.403) 6.220 19.454 ( 3.709 0.000 -2.294) 4.361 19.559 ( -2.723 0.000 3.448) 4.393 19.860 ( 2.867 0.000 -1.113) 3.076 19.942 ( 1.805 0.000 0.314) 1.832 20.094 ( -3.160 0.000 1.828) 3.650 20.317 ( -3.083 0.000 3.327) 4.536 20.461 ( -3.625 0.000 1.164) 3.807 20.719 ( -5.477 0.000 -2.696) 6.104 21.092 ( 2.077 0.000 2.123) 2.970 21.149 ( -0.266 0.000 -1.915) 1.933 21.216 ( -2.292 0.000 1.360) 2.665 21.335 ( -6.680 0.000 0.426) 6.693 21.750 ( 0.615 0.000 -0.525) 0.809 21.807 ( -0.139 0.000 -1.351) 1.358 21.828 ( 1.699 0.000 2.849) 3.317 21.891 ( 2.703 0.000 -2.108) 3.428 21.920 ( 4.178 0.000 3.652) 5.550 22.070 ( 1.912 0.000 -3.135) 3.671 22.345 ( 3.101 0.000 3.643) 4.784 22.372 ( 4.512 0.000 -3.989) 6.023 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -11.009 0.000 2.517) 11.293 1.579 ( -1.719 0.000 2.805) 3.290 1.798 ( -0.883 0.000 10.041) 10.079 1.976 ( 8.012 0.000 -9.078) 12.108 2.062 ( 9.590 0.000 8.310) 12.689 2.160 ( -4.378 0.000 -0.644) 4.425 2.339 ( -1.491 0.000 0.126) 1.496 2.355 ( -2.429 0.000 8.863) 9.190 2.375 ( 6.983 0.000 -4.737) 8.438 2.533 ( -4.063 0.000 -9.112) 9.977 2.599 ( 0.750 0.000 8.795) 8.827 2.716 ( 2.672 0.000 4.601) 5.320 2.736 ( -11.247 0.000 3.713) 11.844 2.785 ( 1.290 0.000 -6.594) 6.719 2.931 ( -0.945 0.000 0.112) 0.951 2.974 ( -1.120 0.000 2.474) 2.716 3.102 ( -3.916 0.000 12.176) 12.790 3.156 ( -2.329 0.000 2.236) 3.229 3.281 ( 2.644 0.000 -5.946) 6.508 3.304 ( 5.882 0.000 -5.355) 7.955 3.338 ( 3.045 0.000 4.708) 5.607 3.377 ( 3.044 0.000 -4.280) 5.252 3.409 ( -3.589 0.000 -1.939) 4.079 3.505 ( 7.376 0.000 -4.925) 8.869 3.580 ( 0.956 0.000 4.450) 4.551 3.668 ( -4.498 0.000 -5.133) 6.824 3.727 ( 2.876 0.000 9.109) 9.552 3.804 ( 1.115 0.000 3.858) 4.016 3.992 ( -5.535 0.000 -9.156) 10.699 3.998 ( -5.775 0.000 -0.327) 5.784 4.073 ( 5.040 0.000 -5.468) 7.437 4.093 ( -3.199 0.000 -14.322) 14.675 4.228 ( -1.878 0.000 5.538) 5.847 4.350 ( -2.425 0.000 -7.005) 7.413 4.565 ( 4.198 0.000 4.329) 6.030 4.630 ( 2.188 0.000 1.924) 2.914 4.669 ( -4.393 0.000 13.727) 14.413 4.762 ( -8.564 0.000 -2.498) 8.921 4.817 ( 4.906 0.000 2.282) 5.411 4.872 ( -2.667 0.000 3.136) 4.117 4.885 ( 1.352 0.000 0.301) 1.385 4.942 ( 6.864 0.000 -4.618) 8.273 5.031 ( -0.606 0.000 0.034) 0.607 5.082 ( 3.846 0.000 -4.985) 6.296 5.223 ( -0.615 0.000 -0.979) 1.156 5.259 ( -2.027 0.000 -3.081) 3.689 5.337 ( -3.869 0.000 3.498) 5.216 5.425 ( 3.237 0.000 -2.449) 4.059 5.516 ( 5.702 0.000 -1.794) 5.977 5.584 ( -1.683 0.000 -2.998) 3.438 5.687 ( -5.696 0.000 1.298) 5.842 5.713 ( -2.431 0.000 3.035) 3.889 5.734 ( 6.090 0.000 -2.142) 6.455 5.809 ( 5.296 0.000 -9.948) 11.270 5.952 ( 0.526 0.000 2.253) 2.313 5.978 ( -0.619 0.000 2.170) 2.257 6.114 ( 5.657 0.000 7.524) 9.414 6.203 ( 4.146 0.000 -1.513) 4.413 6.320 ( -7.521 0.000 0.582) 7.543 6.336 ( 2.327 0.000 0.713) 2.433 6.504 ( 3.417 0.000 2.918) 4.494 6.604 ( 1.812 0.000 0.769) 1.968 6.633 ( -13.205 0.000 -9.126) 16.052 6.725 ( 4.762 0.000 -8.362) 9.623 6.800 ( 9.072 0.000 9.806) 13.359 6.839 ( -6.616 0.000 1.211) 6.726 6.952 ( 1.178 0.000 -1.267) 1.731 6.974 ( -10.773 0.000 12.410) 16.433 7.174 ( -2.378 0.000 -14.339) 14.535 7.219 ( 9.265 0.000 -8.309) 12.445 7.286 ( 3.218 0.000 5.242) 6.151 7.345 ( 1.291 0.000 -0.820) 1.529 7.370 ( -0.552 0.000 -3.280) 3.326 7.386 ( -1.616 0.000 -2.928) 3.344 7.600 ( -3.743 0.000 2.914) 4.743 7.629 ( -2.651 0.000 1.358) 2.979 7.833 ( -2.140 0.000 3.250) 3.891 7.885 ( 3.170 0.000 1.092) 3.353 7.987 ( -0.835 0.000 2.898) 3.016 7.988 ( -3.190 0.000 4.138) 5.225 8.054 ( -1.450 0.000 8.382) 8.507 8.090 ( -1.188 0.000 3.544) 3.738 8.232 ( -0.174 0.000 -0.449) 0.481 8.250 ( 6.416 0.000 -0.219) 6.420 8.390 ( -6.959 0.000 -4.267) 8.162 8.432 ( 4.123 0.000 -4.590) 6.170 8.482 ( -1.387 0.000 7.977) 8.096 8.530 ( -6.742 0.000 5.693) 8.824 8.624 ( -1.729 0.000 -0.879) 1.939 8.696 ( 6.044 0.000 -7.094) 9.320 8.853 ( 4.317 0.000 -0.681) 4.371 8.940 ( -1.852 0.000 -8.953) 9.142 9.241 ( 7.037 0.000 2.832) 7.585 9.338 ( -1.696 0.000 -7.288) 7.483 9.545 ( -2.661 0.000 4.490) 5.219 9.656 ( -0.485 0.000 -5.970) 5.989 9.946 ( 11.524 0.000 7.300) 13.642 10.068 ( -11.575 0.000 -5.137) 12.664 10.295 ( -4.917 0.000 1.395) 5.111 10.302 ( 6.898 0.000 0.698) 6.933 10.601 ( 4.850 0.000 3.102) 5.758 10.689 ( -6.435 0.000 -5.664) 8.573 11.213 ( 2.348 0.000 3.538) 4.246 11.239 ( 3.094 0.000 1.730) 3.545 13.779 ( -1.263 0.000 0.077) 1.265 13.783 ( 0.966 0.000 -0.430) 1.057 13.945 ( -2.089 0.000 -0.286) 2.109 13.956 ( 1.297 0.000 -1.604) 2.063 14.229 ( 0.507 0.000 1.436) 1.523 14.268 ( -0.447 0.000 -2.545) 2.584 14.471 ( -1.406 0.000 3.346) 3.630 14.507 ( 3.805 0.000 0.706) 3.870 14.643 ( -2.592 0.000 -1.572) 3.032 14.667 ( 2.222 0.000 -2.606) 3.425 14.684 ( -1.368 0.000 3.804) 4.043 14.738 ( -0.554 0.000 -1.683) 1.772 14.956 ( 0.631 0.000 7.304) 7.331 15.113 ( -1.405 0.000 -8.686) 8.799 15.195 ( -1.940 0.000 1.991) 2.780 15.225 ( 1.356 0.000 -0.855) 1.603 15.383 ( -0.443 0.000 1.977) 2.026 15.436 ( -0.324 0.000 -2.083) 2.108 15.536 ( 0.312 0.000 1.964) 1.989 15.585 ( 0.467 0.000 -2.143) 2.193 15.694 ( 6.750 0.000 2.018) 7.045 15.723 ( -5.918 0.000 -1.124) 6.024 15.751 ( 1.231 0.000 1.288) 1.781 15.767 ( -1.890 0.000 0.242) 1.905 16.448 ( -0.147 0.000 -1.078) 1.088 16.483 ( -5.591 0.000 -4.563) 7.216 17.143 ( -2.178 0.000 6.374) 6.736 17.176 ( 7.124 0.000 1.520) 7.285 17.237 ( -1.210 0.000 0.223) 1.230 17.322 ( -4.457 0.000 -6.622) 7.982 17.504 ( -6.327 0.000 9.218) 11.180 17.598 ( 5.704 0.000 -1.140) 5.817 17.872 ( -5.071 0.000 3.851) 6.367 17.951 ( 4.220 0.000 -3.448) 5.449 17.990 ( 0.623 0.000 0.772) 0.992 18.010 ( 2.231 0.000 -1.243) 2.554 18.277 ( 0.098 0.000 3.366) 3.368 18.353 ( -0.283 0.000 -4.441) 4.450 18.534 ( -0.201 0.000 8.429) 8.432 18.656 ( 2.879 0.000 -2.943) 4.117 18.740 ( -0.587 0.000 -0.486) 0.762 18.767 ( -1.192 0.000 -4.544) 4.698 19.081 ( -3.563 0.000 6.008) 6.985 19.214 ( 2.796 0.000 -7.596) 8.094 19.497 ( -3.719 0.000 1.674) 4.078 19.549 ( 5.045 0.000 -4.038) 6.462 19.905 ( 2.597 0.000 0.390) 2.626 19.909 ( -2.826 0.000 0.010) 2.826 20.158 ( 6.605 0.000 2.780) 7.166 20.196 ( -6.943 0.000 -1.334) 7.070 20.514 ( 5.982 0.000 4.444) 7.452 20.596 ( -5.066 0.000 -3.975) 6.439 21.130 ( -0.177 0.000 1.290) 1.302 21.158 ( 0.956 0.000 -1.573) 1.841 21.209 ( 2.851 0.000 1.352) 3.155 21.226 ( -3.285 0.000 -0.381) 3.307 21.765 ( 0.709 0.000 0.502) 0.869 21.780 ( -1.707 0.000 -1.167) 2.068 21.858 ( 0.359 0.000 2.815) 2.838 21.910 ( -0.118 0.000 -2.444) 2.447 21.999 ( 1.872 0.000 3.727) 4.171 22.073 ( -1.222 0.000 -3.892) 4.080 22.369 ( -1.199 0.000 2.833) 3.077 22.432 ( 1.963 0.000 -3.695) 4.184 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -15.136 0.000 10.668) 18.518 1.349 ( -15.784 0.000 14.806) 21.642 1.945 ( 3.878 0.000 4.120) 5.658 1.960 ( -11.042 0.000 -10.253) 15.069 2.044 ( -10.767 0.000 -7.339) 13.030 2.069 ( 1.476 0.000 -3.472) 3.772 2.204 ( 3.343 0.000 13.261) 13.675 2.293 ( -13.644 0.000 -5.445) 14.691 2.501 ( 4.927 0.000 6.873) 8.457 2.547 ( 1.635 0.000 1.761) 2.403 2.581 ( -0.730 0.000 7.570) 7.605 2.679 ( 3.148 0.000 12.348) 12.743 2.776 ( 0.886 0.000 8.946) 8.990 2.809 ( 1.902 0.000 -8.160) 8.379 2.926 ( -2.449 0.000 -0.468) 2.493 2.951 ( 3.454 0.000 -1.736) 3.865 3.112 ( 2.856 0.000 12.508) 12.830 3.140 ( 0.140 0.000 3.083) 3.087 3.297 ( -3.045 0.000 -8.268) 8.811 3.309 ( -1.258 0.000 -0.237) 1.280 3.352 ( 0.643 0.000 -4.808) 4.851 3.443 ( 0.858 0.000 -8.281) 8.325 3.499 ( 7.441 0.000 -4.418) 8.654 3.533 ( 3.357 0.000 -5.843) 6.738 3.617 ( 0.952 0.000 1.467) 1.749 3.729 ( 7.403 0.000 -5.567) 9.263 3.794 ( -0.212 0.000 7.832) 7.835 3.842 ( -5.535 0.000 -3.282) 6.435 3.853 ( -2.245 0.000 -2.818) 3.603 3.860 ( -0.544 0.000 6.577) 6.599 3.984 ( -3.395 0.000 -9.359) 9.956 4.158 ( 4.319 0.000 -1.660) 4.627 4.257 ( 3.180 0.000 9.339) 9.865 4.328 ( 0.764 0.000 -9.045) 9.077 4.510 ( -4.525 0.000 -3.930) 5.994 4.548 ( -9.996 0.000 -6.383) 11.860 4.620 ( -5.949 0.000 11.777) 13.194 4.644 ( 1.665 0.000 4.125) 4.448 4.845 ( -2.795 0.000 11.262) 11.603 4.915 ( 3.644 0.000 3.814) 5.275 5.006 ( 6.312 0.000 1.279) 6.440 5.066 ( 5.859 0.000 -9.931) 11.530 5.071 ( 3.796 0.000 -2.256) 4.416 5.195 ( -2.058 0.000 -2.803) 3.478 5.198 ( -0.861 0.000 3.248) 3.360 5.201 ( 6.783 0.000 -10.474) 12.479 5.325 ( 2.357 0.000 8.988) 9.292 5.475 ( 0.511 0.000 -2.590) 2.640 5.491 ( -5.276 0.000 -1.086) 5.386 5.621 ( 3.247 0.000 -1.952) 3.789 5.646 ( 2.933 0.000 -3.991) 4.953 5.753 ( 5.876 0.000 -4.244) 7.248 5.789 ( -3.615 0.000 -2.538) 4.417 5.836 ( -1.775 0.000 0.383) 1.816 5.937 ( -0.179 0.000 3.862) 3.866 6.091 ( 9.096 0.000 -10.783) 14.107 6.162 ( -6.202 0.000 0.312) 6.210 6.203 ( 1.610 0.000 -2.515) 2.987 6.251 ( 2.683 0.000 -8.490) 8.904 6.335 ( -10.915 0.000 -4.189) 11.691 6.340 ( -3.882 0.000 5.079) 6.392 6.542 ( -1.915 0.000 6.097) 6.391 6.613 ( -0.274 0.000 4.330) 4.339 6.804 ( 1.730 0.000 -11.821) 11.947 6.818 ( -1.822 0.000 0.735) 1.965 6.854 ( 5.671 0.000 12.645) 13.859 6.949 ( 2.248 0.000 5.480) 5.924 7.011 ( 6.114 0.000 7.247) 9.482 7.096 ( -2.507 0.000 -16.999) 17.183 7.263 ( -6.539 0.000 -3.822) 7.574 7.283 ( 0.131 0.000 1.148) 1.155 7.367 ( 2.205 0.000 4.833) 5.313 7.409 ( 2.942 0.000 0.785) 3.045 7.493 ( 9.889 0.000 -9.200) 13.507 7.608 ( 2.881 0.000 6.838) 7.421 7.641 ( 3.558 0.000 4.050) 5.391 7.740 ( -7.141 0.000 5.202) 8.835 7.874 ( -6.537 0.000 5.753) 8.708 7.913 ( -1.885 0.000 -3.184) 3.700 7.940 ( -9.388 0.000 10.085) 13.778 8.034 ( 2.027 0.000 3.170) 3.762 8.073 ( 0.265 0.000 10.403) 10.406 8.198 ( 0.691 0.000 -8.959) 8.986 8.252 ( -2.374 0.000 -6.423) 6.848 8.378 ( -2.477 0.000 3.948) 4.661 8.413 ( -6.911 0.000 2.392) 7.314 8.419 ( -0.512 0.000 5.757) 5.780 8.514 ( 2.880 0.000 0.988) 3.044 8.658 ( 3.255 0.000 -0.016) 3.255 8.751 ( 1.029 0.000 -1.713) 1.999 8.854 ( -3.152 0.000 -7.840) 8.450 8.948 ( 4.829 0.000 -8.393) 9.683 9.284 ( -1.957 0.000 -11.424) 11.590 9.386 ( 5.802 0.000 2.626) 6.368 9.557 ( 2.184 0.000 9.946) 10.183 9.608 ( -7.354 0.000 -2.654) 7.818 9.839 ( -4.404 0.000 -5.946) 7.399 10.048 ( -6.435 0.000 -0.182) 6.437 10.261 ( 6.765 0.000 6.762) 9.565 10.315 ( -5.983 0.000 -4.873) 7.717 10.658 ( 4.687 0.000 -2.777) 5.448 10.730 ( 5.416 0.000 4.629) 7.125 11.207 ( -2.439 0.000 -1.134) 2.690 11.228 ( -5.520 0.000 -7.971) 9.696 13.773 ( 0.688 0.000 -0.259) 0.736 13.815 ( 2.167 0.000 0.794) 2.308 13.928 ( 0.026 0.000 0.422) 0.423 14.014 ( 4.266 0.000 -0.164) 4.269 14.230 ( -0.306 0.000 1.654) 1.682 14.234 ( -2.221 0.000 -2.247) 3.159 14.432 ( -2.400 0.000 0.259) 2.414 14.564 ( 1.133 0.000 -1.770) 2.102 14.601 ( -0.481 0.000 -1.054) 1.159 14.684 ( 1.121 0.000 5.291) 5.408 14.715 ( 0.529 0.000 -2.261) 2.322 14.765 ( 3.798 0.000 2.260) 4.419 14.994 ( 3.139 0.000 8.510) 9.070 15.027 ( -5.545 0.000 -8.470) 10.124 15.187 ( 0.713 0.000 1.871) 2.002 15.231 ( -1.256 0.000 0.018) 1.256 15.368 ( 0.169 0.000 5.693) 5.696 15.398 ( -2.629 0.000 -2.753) 3.807 15.546 ( 0.633 0.000 2.404) 2.486 15.580 ( -0.548 0.000 -4.115) 4.151 15.643 ( -2.051 0.000 -4.051) 4.540 15.750 ( 0.333 0.000 1.492) 1.529 15.797 ( 2.872 0.000 -0.825) 2.988 15.909 ( 11.835 0.000 3.288) 12.283 16.399 ( -2.007 0.000 1.901) 2.764 16.499 ( 4.875 0.000 6.643) 8.240 16.904 ( -15.659 0.000 0.894) 15.685 17.112 ( -10.690 0.000 5.514) 12.029 17.201 ( -5.911 0.000 -6.856) 9.052 17.291 ( 2.759 0.000 3.354) 4.343 17.555 ( 6.620 0.000 3.166) 7.338 17.734 ( 5.230 0.000 0.744) 5.283 17.797 ( -1.902 0.000 2.127) 2.853 17.957 ( -0.750 0.000 -2.270) 2.390 18.031 ( 2.618 0.000 0.332) 2.639 18.156 ( 7.049 0.000 -0.112) 7.050 18.291 ( 0.550 0.000 4.049) 4.086 18.351 ( 1.384 0.000 -3.666) 3.919 18.529 ( -1.414 0.000 5.853) 6.021 18.701 ( 1.899 0.000 -3.997) 4.425 18.733 ( 0.031 0.000 1.302) 1.303 18.749 ( 1.149 0.000 -4.802) 4.937 19.010 ( -3.773 0.000 3.727) 5.303 19.252 ( 2.139 0.000 -6.024) 6.392 19.425 ( -2.662 0.000 0.815) 2.784 19.635 ( 3.955 0.000 -4.642) 6.098 19.848 ( -3.650 0.000 0.056) 3.650 19.939 ( -2.429 0.000 0.418) 2.465 20.119 ( 3.012 0.000 -0.928) 3.152 20.329 ( 8.467 0.000 2.425) 8.808 20.521 ( -0.422 0.000 -4.731) 4.750 20.653 ( 5.448 0.000 4.064) 6.797 21.113 ( -1.002 0.000 1.815) 2.073 21.142 ( -1.044 0.000 -2.932) 3.112 21.236 ( 3.156 0.000 -0.615) 3.215 21.323 ( 7.140 0.000 1.824) 7.369 21.742 ( -1.576 0.000 0.205) 1.589 21.776 ( 0.122 0.000 1.647) 1.651 21.849 ( -1.490 0.000 2.043) 2.529 21.881 ( -1.977 0.000 -2.592) 3.259 22.003 ( -4.837 0.000 -4.549) 6.640 22.009 ( -1.332 0.000 3.083) 3.358 22.312 ( -4.443 0.000 2.363) 5.033 22.431 ( -1.866 0.000 -5.328) 5.645 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -8.451 0.000 22.073) 23.636 1.083 ( -10.748 0.000 20.858) 23.465 1.679 ( -12.928 0.000 -4.572) 13.713 1.714 ( -8.857 0.000 -16.653) 18.862 1.934 ( -8.184 0.000 8.932) 12.114 2.124 ( 4.086 0.000 -6.463) 7.646 2.211 ( 4.411 0.000 3.693) 5.753 2.310 ( 3.202 0.000 19.326) 19.589 2.478 ( -6.322 0.000 4.654) 7.851 2.487 ( -9.409 0.000 2.841) 9.828 2.631 ( 1.827 0.000 0.778) 1.986 2.706 ( -0.656 0.000 12.200) 12.218 2.757 ( -3.781 0.000 12.405) 12.969 2.846 ( 1.661 0.000 -7.570) 7.750 2.945 ( 4.650 0.000 -5.189) 6.968 3.038 ( 4.663 0.000 2.048) 5.093 3.147 ( -1.987 0.000 -0.760) 2.128 3.150 ( -4.419 0.000 5.529) 7.078 3.222 ( 3.379 0.000 -9.173) 9.775 3.355 ( 5.899 0.000 -4.751) 7.574 3.413 ( 7.415 0.000 3.226) 8.086 3.442 ( 1.416 0.000 1.094) 1.789 3.591 ( 1.944 0.000 -3.112) 3.670 3.610 ( 1.099 0.000 -1.345) 1.737 3.634 ( -0.913 0.000 0.275) 0.953 3.737 ( 0.852 0.000 4.163) 4.250 3.789 ( -3.729 0.000 -9.543) 10.246 3.796 ( -0.661 0.000 -7.388) 7.418 3.817 ( 0.201 0.000 -5.627) 5.631 3.878 ( 3.101 0.000 -9.738) 10.220 4.013 ( 4.476 0.000 -0.657) 4.524 4.193 ( -1.686 0.000 -0.274) 1.708 4.278 ( -2.536 0.000 1.451) 2.922 4.308 ( -6.605 0.000 -8.978) 11.145 4.411 ( 4.941 0.000 -8.254) 9.620 4.434 ( -7.604 0.000 8.461) 11.376 4.586 ( 6.619 0.000 10.273) 12.221 4.730 ( 4.708 0.000 0.546) 4.740 4.740 ( -6.271 0.000 2.896) 6.907 4.945 ( -2.404 0.000 13.767) 13.975 5.086 ( 1.126 0.000 -1.045) 1.537 5.109 ( -1.507 0.000 -2.287) 2.739 5.138 ( -0.137 0.000 1.425) 1.431 5.184 ( -0.279 0.000 -6.636) 6.642 5.210 ( 4.933 0.000 1.613) 5.190 5.345 ( 6.934 0.000 -6.895) 9.779 5.410 ( 3.066 0.000 3.951) 5.001 5.456 ( 3.558 0.000 2.090) 4.127 5.461 ( -2.782 0.000 -4.190) 5.030 5.613 ( -7.858 0.000 0.146) 7.859 5.718 ( -0.389 0.000 -3.722) 3.743 5.733 ( 9.456 0.000 -0.252) 9.460 5.765 ( -1.682 0.000 0.116) 1.686 5.867 ( 4.006 0.000 -5.107) 6.491 5.938 ( -1.087 0.000 -5.807) 5.908 6.013 ( -3.382 0.000 -5.530) 6.482 6.176 ( -7.642 0.000 7.209) 10.506 6.209 ( -0.014 0.000 -5.079) 5.079 6.237 ( 1.503 0.000 4.095) 4.362 6.262 ( 5.300 0.000 -11.991) 13.110 6.319 ( 1.341 0.000 -6.617) 6.751 6.454 ( -7.193 0.000 0.286) 7.199 6.670 ( 3.188 0.000 11.206) 11.650 6.762 ( -1.424 0.000 -5.626) 5.804 6.829 ( 5.568 0.000 1.147) 5.684 6.984 ( -4.628 0.000 1.920) 5.011 7.043 ( -1.279 0.000 -1.246) 1.785 7.076 ( 8.596 0.000 1.108) 8.667 7.111 ( 8.074 0.000 8.908) 12.023 7.209 ( 2.707 0.000 -3.922) 4.765 7.253 ( -4.205 0.000 2.093) 4.697 7.403 ( -0.736 0.000 3.170) 3.254 7.471 ( 2.661 0.000 2.004) 3.331 7.521 ( -7.913 0.000 -1.915) 8.142 7.576 ( -2.631 0.000 -0.390) 2.659 7.645 ( -5.011 0.000 1.922) 5.367 7.777 ( -1.241 0.000 14.009) 14.064 7.799 ( 5.938 0.000 4.668) 7.553 7.826 ( -5.847 0.000 -3.919) 7.039 7.862 ( 4.808 0.000 -1.470) 5.028 8.060 ( -0.471 0.000 0.369) 0.598 8.120 ( 3.802 0.000 4.020) 5.533 8.175 ( -4.466 0.000 -1.176) 4.618 8.226 ( 0.683 0.000 -1.630) 1.768 8.313 ( -2.232 0.000 7.400) 7.729 8.313 ( 0.456 0.000 -1.370) 1.444 8.451 ( 0.998 0.000 1.539) 1.834 8.507 ( -5.796 0.000 -4.596) 7.397 8.663 ( 2.222 0.000 1.611) 2.745 8.758 ( -0.245 0.000 -1.123) 1.149 8.869 ( 3.135 0.000 -2.862) 4.244 9.002 ( 1.300 0.000 -9.043) 9.135 9.215 ( -2.418 0.000 -9.847) 10.139 9.292 ( -13.919 0.000 4.901) 14.757 9.569 ( 5.534 0.000 1.281) 5.680 9.637 ( 2.825 0.000 10.233) 10.616 9.815 ( -0.082 0.000 -4.559) 4.559 9.894 ( -5.412 0.000 -5.033) 7.391 10.201 ( -0.985 0.000 -7.595) 7.658 10.417 ( 3.878 0.000 6.952) 7.960 10.758 ( 4.010 0.000 -4.516) 6.040 10.833 ( 3.567 0.000 5.396) 6.468 10.909 ( -22.075 0.000 -11.617) 24.945 11.128 ( -4.327 0.000 -3.804) 5.762 13.804 ( 2.098 0.000 -0.675) 2.203 13.857 ( 0.563 0.000 0.066) 0.567 13.948 ( 2.108 0.000 2.747) 3.462 14.111 ( 2.895 0.000 -1.099) 3.096 14.195 ( 0.813 0.000 0.539) 0.975 14.237 ( 0.787 0.000 2.013) 2.161 14.379 ( -2.195 0.000 -2.015) 2.980 14.538 ( -3.479 0.000 -1.370) 3.739 14.642 ( 3.934 0.000 -3.816) 5.480 14.673 ( -2.773 0.000 1.541) 3.173 14.735 ( 1.358 0.000 4.864) 5.050 14.860 ( -1.373 0.000 -0.147) 1.381 14.945 ( 6.065 0.000 -3.155) 6.836 15.110 ( 5.559 0.000 4.876) 7.394 15.164 ( -4.835 0.000 2.107) 5.274 15.192 ( -0.617 0.000 -0.532) 0.815 15.366 ( 0.186 0.000 -0.425) 0.464 15.481 ( 9.487 0.000 7.478) 12.080 15.543 ( -1.453 0.000 0.824) 1.671 15.559 ( -1.088 0.000 -1.226) 1.639 15.587 ( -1.389 0.000 -6.887) 7.025 15.796 ( 3.866 0.000 4.379) 5.842 15.836 ( 0.879 0.000 -4.022) 4.117 16.167 ( 10.176 0.000 2.324) 10.438 16.390 ( -1.391 0.000 4.208) 4.432 16.596 ( -10.079 0.000 6.560) 12.025 16.671 ( 8.090 0.000 6.028) 10.088 16.879 ( -9.625 0.000 9.178) 13.299 17.058 ( -5.640 0.000 -8.376) 10.098 17.327 ( 0.021 0.000 -1.038) 1.038 17.672 ( 3.991 0.000 0.556) 4.030 17.804 ( 1.582 0.000 2.291) 2.784 17.807 ( 2.018 0.000 1.144) 2.319 17.913 ( -3.663 0.000 -2.830) 4.629 18.097 ( 3.505 0.000 0.593) 3.555 18.214 ( -0.844 0.000 1.586) 1.797 18.316 ( 1.273 0.000 3.691) 3.904 18.376 ( -0.267 0.000 1.109) 1.141 18.511 ( -0.500 0.000 3.637) 3.671 18.670 ( -3.448 0.000 -0.778) 3.534 18.747 ( 0.815 0.000 3.534) 3.627 18.859 ( 4.916 0.000 -4.031) 6.358 18.989 ( 5.651 0.000 -4.272) 7.085 19.279 ( 0.898 0.000 -5.511) 5.584 19.411 ( 1.703 0.000 0.040) 1.704 19.699 ( 0.261 0.000 -4.487) 4.494 19.724 ( -6.028 0.000 -0.024) 6.028 19.830 ( -6.263 0.000 1.760) 6.506 20.281 ( 9.957 0.000 -0.757) 9.986 20.462 ( 3.803 0.000 -3.798) 5.374 20.608 ( 8.112 0.000 -1.320) 8.218 20.717 ( -0.675 0.000 4.141) 4.196 21.102 ( -0.394 0.000 4.152) 4.170 21.151 ( 2.676 0.000 -3.709) 4.574 21.314 ( 4.430 0.000 -1.337) 4.628 21.515 ( 10.767 0.000 0.698) 10.789 21.716 ( -1.529 0.000 1.305) 2.010 21.769 ( -2.211 0.000 0.399) 2.247 21.795 ( -5.361 0.000 -0.987) 5.451 21.841 ( -0.597 0.000 -1.565) 1.675 21.870 ( -4.331 0.000 -1.195) 4.493 21.962 ( -3.437 0.000 2.203) 4.082 22.202 ( -5.715 0.000 1.537) 5.918 22.315 ( -8.025 0.000 -5.845) 9.928 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 8.476 6.848 21.046) 23.699 1.250 ( -0.773 16.983 16.389) 23.614 1.498 ( -5.607 0.561 -5.991) 8.225 1.716 ( 6.341 12.277 -18.306) 22.935 1.923 ( -3.865 -7.766 11.956) 14.772 2.031 ( -0.401 -2.076 4.478) 4.953 2.184 ( -5.020 -5.068 6.552) 9.686 2.313 ( -0.872 -0.588 0.469) 1.151 2.391 ( 0.823 2.434 12.257) 12.523 2.480 ( 1.090 4.944 12.168) 13.179 2.597 ( 2.054 -1.231 -2.783) 3.671 2.698 ( 3.217 -5.566 8.351) 10.539 2.736 ( -6.224 5.366 3.829) 9.066 2.870 ( -0.923 -1.247 -0.003) 1.551 2.951 ( 1.729 -6.168 1.703) 6.628 2.999 ( -1.660 -5.034 -1.547) 5.522 3.104 ( 0.303 2.563 -3.724) 4.531 3.127 ( 0.446 3.362 -6.691) 7.502 3.325 ( 3.936 -2.791 -2.573) 5.469 3.372 ( -6.541 -2.990 -5.225) 8.890 3.397 ( 3.803 -1.054 2.268) 4.552 3.508 ( 3.351 -0.444 -3.119) 4.600 3.575 ( 1.286 -2.841 4.936) 5.839 3.623 ( -2.518 0.996 -0.139) 2.711 3.680 ( 1.217 -4.058 -1.152) 4.391 3.732 ( -2.391 -4.514 -8.171) 9.636 3.783 ( -0.576 8.921 -1.916) 9.143 3.810 ( -1.033 6.487 -0.475) 6.586 3.881 ( -1.309 4.881 -11.855) 12.887 3.906 ( 4.298 -1.400 -8.525) 9.650 4.019 ( 0.181 0.728 4.927) 4.984 4.111 ( -3.815 -3.897 -3.174) 6.310 4.188 ( 0.885 -1.485 4.348) 4.680 4.281 ( 2.307 3.222 -3.841) 5.518 4.345 ( -8.216 -5.417 0.761) 9.871 4.402 ( 10.064 -2.825 -5.495) 11.809 4.644 ( -5.324 -16.178 9.128) 19.323 4.718 ( -2.444 2.606 1.345) 3.817 4.797 ( 8.214 -9.224 6.741) 14.071 4.817 ( 6.115 0.396 -2.605) 6.659 4.958 ( -0.722 -6.060 -7.436) 9.620 4.991 ( -7.633 -1.822 -3.770) 8.706 5.057 ( 1.910 -5.442 8.265) 10.079 5.216 ( -0.025 0.820 -1.358) 1.586 5.234 ( -6.928 -5.774 7.701) 11.859 5.336 ( 2.245 1.638 0.368) 2.803 5.390 ( 4.352 -7.026 -2.402) 8.607 5.418 ( -2.778 0.954 -1.914) 3.505 5.531 ( 5.576 -0.181 -1.683) 5.827 5.568 ( -3.969 2.422 -3.821) 6.018 5.643 ( 0.171 -3.731 1.239) 3.935 5.738 ( -3.504 -1.769 -9.064) 9.877 5.888 ( -0.503 8.444 6.743) 10.818 5.937 ( -0.037 0.724 4.643) 4.699 5.973 ( 2.248 1.731 -1.162) 3.066 6.055 ( 2.708 -1.864 -3.386) 4.719 6.118 ( -3.141 -1.981 0.646) 3.769 6.195 ( -6.224 6.293 -6.845) 11.189 6.244 ( -3.519 -2.065 -3.903) 5.646 6.278 ( 1.592 -5.575 -1.781) 6.065 6.360 ( 7.096 1.606 -3.303) 7.991 6.407 ( 3.350 4.496 -2.430) 6.110 6.684 ( -3.708 -3.999 15.397) 16.334 6.720 ( -2.628 0.873 -1.068) 2.968 6.774 ( -4.510 -3.696 -1.042) 5.923 6.925 ( 4.776 -3.399 4.894) 7.637 7.011 ( 3.907 0.261 1.030) 4.049 7.109 ( -4.752 1.385 3.211) 5.900 7.156 ( -6.635 -9.285 -3.306) 11.882 7.255 ( 5.805 -2.461 -1.088) 6.398 7.342 ( 2.693 0.690 -1.899) 3.366 7.370 ( -4.721 2.225 1.380) 5.399 7.454 ( -2.311 2.152 -1.118) 3.350 7.504 ( 4.000 -1.616 0.545) 4.348 7.537 ( 4.998 -0.091 -5.980) 7.794 7.629 ( 3.728 -0.545 0.190) 3.772 7.704 ( -3.081 -3.470 -0.724) 4.696 7.713 ( 5.412 -5.156 2.513) 7.886 7.852 ( 0.226 -1.459 -0.444) 1.542 7.910 ( -0.537 6.088 -6.663) 9.042 7.978 ( -4.330 -3.126 9.545) 10.937 8.134 ( 2.062 1.350 -4.826) 5.419 8.242 ( 2.765 2.185 6.086) 7.033 8.334 ( -4.928 4.285 -1.951) 6.816 8.412 ( 3.860 7.112 3.396) 8.776 8.439 ( 6.085 7.529 4.010) 10.478 8.488 ( -1.716 9.502 -0.681) 9.680 8.542 ( -1.057 7.160 -2.883) 7.791 8.711 ( -0.841 -1.443 -0.235) 1.687 8.732 ( 0.600 1.357 -1.714) 2.268 8.905 ( -0.430 0.861 -0.383) 1.035 8.931 ( -2.180 -0.330 -2.433) 3.284 9.207 ( -6.031 10.675 7.528) 14.388 9.337 ( 2.149 8.853 -4.997) 10.391 9.558 ( 1.573 -8.524 7.230) 11.287 9.663 ( 0.778 -5.423 -3.325) 6.409 9.753 ( -0.445 -2.302 -0.683) 2.442 9.782 ( -1.513 -2.951 -4.461) 5.558 10.194 ( -11.840 -0.788 4.311) 12.625 10.262 ( 5.448 -2.526 -2.532) 6.517 10.682 ( 1.617 2.845 5.085) 6.047 10.792 ( 0.398 -0.181 -5.700) 5.717 10.932 ( 2.852 1.511 5.329) 6.230 11.025 ( -3.720 -0.070 -4.273) 5.665 13.884 ( -1.436 4.411 1.046) 4.755 13.915 ( 1.220 5.515 -2.108) 6.029 14.049 ( 2.493 3.623 2.987) 5.316 14.111 ( -3.071 2.734 -3.028) 5.107 14.276 ( 1.958 1.099 1.038) 2.474 14.295 ( 2.223 0.659 0.564) 2.386 14.360 ( 2.575 -0.276 0.683) 2.679 14.414 ( -5.559 -0.867 -3.521) 6.637 14.620 ( -2.184 0.541 2.733) 3.540 14.661 ( 0.126 -1.227 -0.697) 1.417 14.793 ( -0.039 3.075 3.344) 4.543 14.851 ( -0.135 1.985 -0.846) 2.162 14.997 ( -0.318 -4.890 1.300) 5.070 15.060 ( 2.303 -3.950 -3.527) 5.775 15.200 ( -1.764 1.123 0.536) 2.159 15.229 ( 4.425 -0.640 -1.395) 4.683 15.318 ( 0.861 -4.519 5.877) 7.464 15.416 ( -2.013 -3.302 -3.791) 5.416 15.494 ( -1.449 -2.340 -0.659) 2.830 15.524 ( -0.760 -4.176 -4.010) 5.839 15.766 ( 0.527 4.807 3.337) 5.875 15.834 ( 0.768 3.433 -3.154) 4.725 16.077 ( 8.485 3.691 0.834) 9.290 16.116 ( -7.585 3.023 -3.360) 8.830 16.484 ( 10.382 -0.047 4.650) 11.376 16.530 ( -9.262 -1.357 0.804) 9.395 16.632 ( 4.887 -1.207 10.653) 11.783 16.845 ( -4.620 -2.934 -10.473) 11.817 17.188 ( 11.735 6.871 5.052) 14.507 17.312 ( -4.441 4.894 -7.016) 9.638 17.704 ( 1.430 -4.479 2.403) 5.280 17.747 ( -2.789 -3.515 -2.178) 4.988 17.836 ( -0.523 -0.192 1.371) 1.480 17.863 ( 2.226 0.373 -1.386) 2.648 18.113 ( 0.214 -4.228 1.172) 4.393 18.126 ( -0.122 -4.056 -0.115) 4.060 18.364 ( 0.984 1.252 3.420) 3.772 18.398 ( -0.924 2.751 0.147) 2.906 18.586 ( 0.555 2.442 1.781) 3.073 18.626 ( 0.871 1.946 -2.714) 3.451 18.770 ( 0.484 -1.184 4.627) 4.801 18.845 ( -0.134 -1.786 -2.402) 2.997 19.176 ( 3.912 1.781 1.950) 4.720 19.223 ( -8.390 2.506 -2.753) 9.179 19.511 ( -4.526 2.589 2.415) 5.746 19.568 ( 5.018 4.294 -3.730) 7.586 19.711 ( -5.316 0.091 3.173) 6.191 19.775 ( 4.153 -0.362 -3.264) 5.295 20.358 ( 4.085 -7.819 1.723) 8.988 20.383 ( -6.316 -7.159 -0.412) 9.556 20.636 ( -1.723 -1.331 2.966) 3.680 20.716 ( 2.556 -2.605 -5.055) 6.235 21.160 ( 1.043 3.416 2.639) 4.441 21.209 ( 1.623 0.842 -2.246) 2.896 21.425 ( 5.149 -1.821 0.894) 5.534 21.445 ( -12.187 -2.466 -1.267) 12.498 21.678 ( -2.436 1.026 1.408) 2.995 21.698 ( 2.061 0.689 -0.582) 2.250 21.825 ( -2.494 -0.289 2.547) 3.577 21.859 ( 1.511 -0.053 1.369) 2.040 21.879 ( 4.924 0.202 -2.996) 5.767 21.888 ( 0.418 -0.212 -1.670) 1.734 22.137 ( 1.260 -0.164 0.688) 1.445 22.151 ( -2.545 -0.665 -0.750) 2.735 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 5.537 -1.736 8.869) 10.598 1.428 ( 6.311 4.134 7.495) 10.634 1.490 ( 9.879 3.137 -6.361) 12.161 1.680 ( -2.030 1.840 -2.814) 3.928 1.937 ( 4.027 8.840 4.969) 10.911 2.059 ( -1.707 -0.811 -1.382) 2.341 2.149 ( -2.005 -8.801 0.489) 9.039 2.310 ( -0.340 -2.154 12.131) 12.325 2.438 ( 3.544 -4.313 9.202) 10.763 2.629 ( 4.143 5.719 -0.726) 7.099 2.654 ( 3.630 2.018 -2.154) 4.678 2.692 ( 7.489 -0.048 13.587) 15.514 2.729 ( -4.726 -2.171 2.165) 5.633 2.809 ( 0.282 1.635 6.066) 6.289 2.953 ( -4.922 1.095 2.903) 5.818 3.011 ( 1.835 -2.360 -3.100) 4.307 3.033 ( -1.798 -4.643 -2.339) 5.501 3.155 ( -2.487 -1.220 -0.984) 2.939 3.239 ( -0.938 0.024 -4.782) 4.873 3.357 ( -2.767 -4.698 3.649) 6.560 3.435 ( -7.889 -0.124 -2.088) 8.161 3.486 ( -1.439 0.583 -4.472) 4.734 3.519 ( 1.563 -4.308 2.497) 5.219 3.557 ( -1.859 1.221 -4.530) 5.047 3.642 ( -3.767 3.738 -5.970) 7.988 3.730 ( 0.575 3.816 2.036) 4.364 3.749 ( -0.127 1.700 0.233) 1.721 3.823 ( -0.676 5.389 -6.254) 8.283 3.897 ( 4.600 3.736 -5.890) 8.356 4.000 ( 3.488 -1.607 -6.163) 7.261 4.017 ( -0.999 -5.882 -4.128) 7.255 4.079 ( 5.260 -0.074 5.871) 7.883 4.193 ( -1.127 -0.872 0.008) 1.425 4.251 ( 2.213 -0.415 -1.165) 2.535 4.444 ( 2.040 1.032 -3.639) 4.298 4.531 ( 0.615 -13.752 -3.346) 14.167 4.590 ( 6.438 -5.309 3.623) 9.098 4.704 ( 1.340 -4.351 3.723) 5.881 4.803 ( -7.415 0.939 -4.578) 8.765 4.865 ( 1.140 -5.776 2.291) 6.317 4.976 ( 1.184 0.128 4.546) 4.700 4.989 ( 2.942 -8.012 -4.793) 9.789 5.057 ( -1.361 -1.333 0.096) 1.908 5.121 ( -4.399 -0.307 3.918) 5.899 5.218 ( 1.470 -1.648 2.080) 3.034 5.263 ( -2.955 -4.258 -1.419) 5.374 5.416 ( -3.022 -0.901 -1.618) 3.544 5.446 ( -5.013 3.198 -0.772) 5.996 5.490 ( 4.167 -0.132 -2.023) 4.634 5.600 ( 1.092 2.937 1.821) 3.624 5.686 ( 2.567 -3.464 2.424) 4.947 5.752 ( 4.358 -2.133 -1.316) 5.027 5.809 ( -5.334 2.594 4.225) 7.282 5.931 ( -8.075 -0.001 -1.557) 8.224 5.980 ( -1.605 0.502 -3.958) 4.300 6.017 ( -0.062 7.055 -1.205) 7.158 6.050 ( -4.524 3.376 4.753) 7.379 6.152 ( 5.649 -1.917 -0.248) 5.970 6.174 ( -0.386 -0.410 -2.294) 2.362 6.319 ( -2.307 -1.108 -3.125) 4.039 6.407 ( -1.657 -0.058 -5.883) 6.112 6.433 ( 3.255 -6.668 -2.082) 7.707 6.618 ( -1.356 -0.783 12.284) 12.383 6.646 ( -4.675 -1.335 3.216) 5.829 6.736 ( 2.755 0.503 6.154) 6.762 6.930 ( -9.867 -7.545 -4.943) 13.368 7.003 ( -2.190 -0.302 -1.845) 2.879 7.035 ( 2.180 -6.960 -9.612) 12.066 7.170 ( -0.645 -1.161 4.900) 5.077 7.217 ( 0.673 -2.160 5.343) 5.802 7.344 ( 2.443 1.425 -0.041) 2.829 7.411 ( 1.366 -2.571 0.153) 2.916 7.480 ( -0.622 3.631 6.179) 7.194 7.507 ( -0.804 -3.363 -3.476) 4.903 7.644 ( -1.005 -5.413 1.082) 5.611 7.656 ( -0.086 -5.519 1.613) 5.751 7.740 ( 7.619 0.551 -12.977) 15.058 7.794 ( -0.455 1.720 -0.692) 1.909 7.827 ( -2.500 0.974 2.148) 3.437 7.923 ( -0.376 -1.613 3.639) 3.998 7.976 ( 9.917 1.051 -8.491) 13.098 8.164 ( 0.101 6.489 1.536) 6.669 8.289 ( -0.351 7.323 3.775) 8.247 8.301 ( 2.964 3.664 -1.037) 4.825 8.406 ( -4.241 6.100 -2.070) 7.713 8.492 ( -0.840 3.635 0.808) 3.817 8.511 ( 3.270 2.110 -2.795) 4.791 8.573 ( -4.129 1.222 -1.613) 4.598 8.651 ( 7.924 7.249 -1.324) 10.821 8.760 ( -1.470 2.561 -0.032) 2.953 8.857 ( -4.903 1.223 -0.583) 5.086 8.898 ( 0.657 1.392 0.142) 1.546 9.198 ( 1.992 11.802 8.108) 14.457 9.428 ( 7.822 2.868 -0.205) 8.334 9.503 ( -5.829 -3.680 3.997) 7.969 9.675 ( -0.192 -8.919 -2.809) 9.353 9.719 ( -1.790 -2.955 -0.302) 3.468 9.870 ( 8.994 5.781 -1.116) 10.749 10.084 ( 2.566 -0.454 3.275) 4.186 10.449 ( 4.120 -3.603 3.022) 6.252 10.710 ( -0.442 3.821 2.146) 4.405 10.790 ( 4.154 -1.849 -2.814) 5.348 10.933 ( -3.341 -0.698 -3.243) 4.708 11.024 ( 3.572 -0.129 4.904) 6.068 13.851 ( -1.620 5.236 0.909) 5.556 13.915 ( -0.999 4.461 -1.185) 4.723 14.032 ( -3.354 2.078 -2.790) 4.833 14.094 ( 0.068 3.115 2.851) 4.223 14.239 ( -3.835 0.305 -2.784) 4.749 14.289 ( -1.194 0.528 -2.562) 2.875 14.357 ( 1.793 0.002 -0.122) 1.797 14.463 ( 2.678 -1.614 3.765) 4.894 14.584 ( -0.886 0.386 2.121) 2.331 14.689 ( 2.463 -0.612 1.952) 3.201 14.777 ( -1.284 2.669 2.859) 4.116 14.850 ( -0.463 2.517 0.625) 2.635 14.916 ( -4.468 -1.285 -2.132) 5.115 15.150 ( 4.301 -3.992 -3.838) 7.012 15.173 ( -0.422 -0.428 -2.129) 2.212 15.282 ( 0.423 0.583 -3.795) 3.863 15.327 ( -1.618 -3.158 2.574) 4.384 15.387 ( 0.920 -3.385 1.641) 3.873 15.447 ( -1.259 -3.170 0.447) 3.440 15.526 ( 0.331 -3.492 0.042) 3.508 15.749 ( -2.719 3.071 0.045) 4.102 15.805 ( -1.631 5.686 -2.407) 6.386 15.922 ( -4.899 5.080 -0.440) 7.071 16.220 ( -10.773 2.303 -1.408) 11.106 16.400 ( 8.201 -2.717 0.153) 8.641 16.656 ( 0.820 -3.091 -3.697) 4.889 16.750 ( 6.057 -1.346 2.543) 6.706 16.894 ( 10.580 0.262 2.562) 10.889 17.120 ( -6.793 2.979 -8.767) 11.484 17.403 ( 4.681 5.419 -4.042) 8.223 17.638 ( -3.825 -4.945 0.144) 6.253 17.757 ( -0.305 -3.095 1.642) 3.517 17.841 ( 0.828 -0.216 -0.051) 0.858 17.903 ( 1.079 1.096 -2.038) 2.553 18.058 ( -3.315 -3.267 0.519) 4.683 18.160 ( -0.248 -6.471 1.566) 6.662 18.353 ( -1.588 1.752 2.375) 3.351 18.391 ( -1.221 1.915 0.272) 2.287 18.558 ( -1.116 1.422 3.158) 3.639 18.703 ( 0.521 1.210 -0.500) 1.409 18.727 ( -3.648 -0.793 2.977) 4.775 18.905 ( 0.846 -1.609 2.976) 3.487 18.970 ( -2.938 8.787 -7.997) 12.239 19.189 ( -2.112 0.361 4.105) 4.630 19.440 ( -0.543 2.094 -0.899) 2.342 19.617 ( -3.533 0.382 3.618) 5.072 19.754 ( 7.445 1.225 -1.767) 7.749 19.862 ( 4.543 -0.093 -1.330) 4.735 20.205 ( -8.540 -4.425 0.765) 9.649 20.349 ( -3.528 -4.142 3.799) 6.635 20.589 ( -4.286 0.618 1.817) 4.696 20.733 ( -0.852 -5.528 -4.331) 7.074 21.084 ( -2.990 1.053 -0.274) 3.182 21.216 ( -2.347 2.446 -1.431) 3.680 21.270 ( -4.119 0.015 3.000) 5.096 21.465 ( -5.324 -2.697 3.010) 6.684 21.699 ( 4.635 -0.334 1.771) 4.974 21.747 ( 3.939 0.602 0.542) 4.022 21.792 ( -0.525 -0.555 1.143) 1.375 21.856 ( 0.342 1.808 -1.169) 2.180 21.878 ( 0.267 -0.415 -1.460) 1.541 21.985 ( 3.623 -2.925 -2.700) 5.383 22.220 ( 6.361 -0.765 0.769) 6.453 22.252 ( 7.206 -0.094 -1.271) 7.318 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 5.587 -12.668 -4.632) 14.599 1.589 ( 8.574 -8.744 5.550) 13.445 1.678 ( 11.440 0.047 -7.091) 13.459 1.792 ( -1.857 5.605 5.013) 7.745 1.918 ( 0.387 -7.226 4.961) 8.774 2.037 ( 1.247 2.047 4.099) 4.748 2.204 ( 4.015 -3.093 1.595) 5.313 2.287 ( -1.622 -9.484 -0.068) 9.622 2.428 ( -4.134 -5.586 1.115) 7.038 2.609 ( -2.572 -1.224 4.466) 5.297 2.636 ( -1.861 1.811 1.887) 3.210 2.736 ( -0.537 9.136 -3.436) 9.775 2.822 ( -1.283 2.500 6.579) 7.154 2.878 ( -1.083 3.127 -2.834) 4.357 2.900 ( -1.092 -5.126 -1.748) 5.525 3.008 ( 6.347 2.334 5.622) 8.795 3.062 ( 6.071 -0.942 6.964) 9.287 3.139 ( -1.833 -2.537 0.136) 3.133 3.235 ( -0.530 -2.340 -1.325) 2.741 3.263 ( -1.766 -4.537 2.860) 5.647 3.356 ( -2.793 7.959 6.557) 10.684 3.432 ( -3.307 2.547 -2.763) 5.006 3.458 ( -0.543 1.356 -4.561) 4.789 3.558 ( -0.262 3.580 -1.702) 3.972 3.604 ( -0.055 -1.736 -3.083) 3.539 3.702 ( -2.237 5.033 4.578) 7.162 3.721 ( -3.214 -1.700 4.058) 5.449 3.795 ( -0.893 1.817 -5.948) 6.283 3.980 ( 0.778 -5.162 -9.476) 10.819 3.983 ( 2.871 -1.217 -3.304) 4.543 4.120 ( 2.114 5.177 -2.872) 6.287 4.130 ( 2.146 -1.518 -1.899) 3.243 4.277 ( 5.039 -1.597 -1.248) 5.432 4.322 ( 4.581 -1.286 1.333) 4.941 4.439 ( 3.843 2.008 -6.701) 7.981 4.586 ( 0.927 -9.396 -3.665) 10.128 4.626 ( 2.764 -2.347 -3.243) 4.865 4.679 ( -3.464 -4.960 1.682) 6.279 4.765 ( -7.335 0.382 0.882) 7.398 4.829 ( -1.738 -1.475 4.649) 5.178 4.945 ( 1.006 -2.836 2.258) 3.762 4.982 ( -4.215 0.322 7.698) 8.782 5.028 ( 0.585 -3.925 -4.659) 6.120 5.128 ( 1.798 1.212 0.192) 2.176 5.240 ( -1.078 -3.208 0.254) 3.394 5.263 ( -0.667 -2.687 0.510) 2.815 5.338 ( -0.170 -1.107 -7.486) 7.569 5.388 ( 2.177 3.117 0.425) 3.825 5.531 ( 2.739 -1.877 -0.682) 3.389 5.614 ( -5.491 0.091 3.026) 6.271 5.666 ( 0.269 2.041 1.889) 2.794 5.707 ( -2.418 -1.322 0.660) 2.834 5.762 ( -8.955 4.426 -1.413) 10.088 5.895 ( 4.985 -1.309 -0.050) 5.154 5.943 ( -1.359 1.428 6.888) 7.164 5.965 ( -2.139 6.795 -4.775) 8.576 6.064 ( 4.687 -4.284 -0.796) 6.400 6.108 ( -5.167 1.719 3.217) 6.325 6.208 ( 2.816 -2.226 -1.645) 3.948 6.367 ( 3.246 -7.460 -1.718) 8.315 6.414 ( 3.614 -4.160 -7.319) 9.162 6.492 ( 1.552 -4.914 2.209) 5.607 6.611 ( -1.362 0.556 8.707) 8.830 6.629 ( 2.202 -7.110 13.632) 15.531 6.766 ( -0.271 -4.255 -7.113) 8.293 6.850 ( 1.574 -0.149 -1.783) 2.383 6.948 ( -0.969 -6.614 -4.653) 8.145 7.053 ( 1.922 -3.252 -9.134) 9.884 7.067 ( -6.712 2.375 -3.573) 7.967 7.265 ( -8.229 1.061 11.019) 13.793 7.309 ( -0.817 -4.306 0.789) 4.453 7.373 ( -0.565 2.943 -0.107) 2.998 7.465 ( -0.535 -1.583 4.261) 4.576 7.474 ( -1.389 4.330 -1.574) 4.812 7.588 ( -1.877 -6.720 -1.859) 7.221 7.683 ( -1.926 2.091 0.069) 2.843 7.800 ( -0.201 2.048 5.257) 5.645 7.822 ( 4.450 -4.444 -1.745) 6.527 7.861 ( 6.021 -2.223 4.325) 7.740 7.992 ( 5.231 2.404 -6.261) 8.506 8.130 ( -2.098 5.207 2.221) 6.037 8.162 ( 6.488 2.049 -8.934) 11.230 8.213 ( -7.467 5.376 -3.647) 9.897 8.325 ( 3.211 9.714 1.075) 10.287 8.397 ( -3.299 -2.563 7.687) 8.749 8.414 ( -2.006 -2.413 1.123) 3.333 8.509 ( -1.703 0.792 -1.877) 2.655 8.593 ( 2.489 1.918 -5.238) 6.109 8.696 ( -3.580 3.670 -0.465) 5.148 8.753 ( -2.511 5.098 -0.135) 5.684 8.798 ( 4.214 4.181 0.680) 5.975 8.949 ( 3.859 0.144 -3.492) 5.206 9.236 ( -0.111 10.084 7.164) 12.370 9.410 ( -2.039 0.883 -1.945) 2.953 9.588 ( 1.223 -0.189 -0.690) 1.417 9.671 ( 0.557 -2.569 -5.154) 5.786 9.735 ( 7.592 1.220 5.603) 9.515 10.070 ( 9.629 5.286 1.506) 11.088 10.227 ( 7.354 -3.358 -1.347) 8.196 10.374 ( -7.425 0.712 0.290) 7.464 10.649 ( -4.233 4.217 0.400) 5.989 10.817 ( -5.557 -1.371 -3.849) 6.898 11.008 ( 9.687 -5.829 4.551) 12.188 11.108 ( 3.388 -3.296 4.861) 6.780 13.829 ( -0.480 5.152 0.284) 5.182 13.875 ( -2.265 4.283 -0.211) 4.850 13.969 ( -1.671 0.972 -2.965) 3.540 14.032 ( -4.660 1.801 -0.732) 5.050 14.214 ( 0.781 0.741 1.014) 1.479 14.271 ( -0.141 -0.283 -2.367) 2.388 14.417 ( 3.381 -0.687 0.722) 3.525 14.472 ( -0.762 -1.347 3.048) 3.418 14.598 ( 1.394 -0.506 1.098) 1.846 14.725 ( -1.699 2.385 0.692) 3.009 14.749 ( -0.733 -1.486 -1.302) 2.107 14.779 ( -4.292 0.507 1.517) 4.580 14.920 ( 3.426 3.783 3.051) 5.946 15.152 ( -1.155 -0.206 -7.447) 7.539 15.209 ( 1.485 -0.331 -2.398) 2.840 15.247 ( -2.127 0.611 -0.089) 2.214 15.316 ( 1.895 -3.044 1.834) 4.028 15.416 ( -0.107 -2.957 -0.973) 3.115 15.473 ( 2.750 -1.947 3.911) 5.162 15.545 ( 2.483 -3.419 2.042) 4.693 15.679 ( -2.995 3.385 -2.985) 5.417 15.789 ( 0.486 5.338 -0.987) 5.450 15.855 ( -2.899 5.696 1.763) 6.630 15.958 ( -11.667 1.575 -1.041) 11.819 16.470 ( -0.685 -1.019 -5.123) 5.268 16.633 ( -3.975 0.028 -4.200) 5.783 16.912 ( 9.884 -1.961 -1.004) 10.126 17.068 ( 5.473 2.029 4.464) 7.348 17.148 ( 8.297 -2.127 -0.599) 8.586 17.409 ( -3.081 0.926 -4.098) 5.210 17.565 ( -2.367 -2.765 -2.249) 4.278 17.698 ( -6.527 0.474 4.693) 8.053 17.864 ( 1.758 -0.199 -1.635) 2.409 17.905 ( 0.044 -0.416 0.704) 0.819 17.991 ( -3.074 -2.842 0.974) 4.298 18.068 ( -6.990 -3.416 3.529) 8.543 18.314 ( -1.617 3.232 3.874) 5.298 18.376 ( 0.604 1.465 -2.036) 2.581 18.562 ( -0.128 4.037 8.657) 9.553 18.641 ( 0.324 3.052 -0.826) 3.178 18.742 ( 0.300 -0.456 -0.850) 1.010 18.826 ( -2.493 2.668 -4.691) 5.945 19.100 ( 6.444 -3.241 -8.006) 10.776 19.134 ( -3.251 -0.795 4.643) 5.723 19.465 ( 3.066 1.123 -2.154) 3.912 19.560 ( -2.704 0.023 2.852) 3.930 19.835 ( 1.099 -2.040 -0.164) 2.323 19.932 ( 0.031 -1.405 -0.350) 1.449 20.101 ( 0.674 0.968 -0.553) 1.303 20.315 ( -0.751 -0.456 4.696) 4.778 20.462 ( -5.529 0.111 0.297) 5.538 20.669 ( -4.323 -4.816 -2.523) 6.946 21.084 ( 1.847 -0.419 0.291) 1.916 21.164 ( -1.709 0.966 -0.245) 1.978 21.210 ( -2.273 -0.483 1.149) 2.592 21.330 ( -6.123 -0.691 0.463) 6.179 21.738 ( 0.677 -0.845 -0.486) 1.187 21.792 ( -0.517 -1.150 0.056) 1.262 21.842 ( 2.030 0.887 1.735) 2.814 21.898 ( 3.603 0.311 -0.716) 3.687 21.912 ( 2.769 -0.375 1.963) 3.415 22.043 ( 2.104 -2.562 -2.853) 4.374 22.336 ( 3.647 -0.633 2.251) 4.332 22.369 ( 4.065 -0.449 -2.769) 4.939 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -2.986 -16.991 8.056) 19.040 1.614 ( -3.639 -14.349 -7.100) 16.418 1.668 ( -11.711 4.580 8.560) 15.211 1.841 ( 8.483 -1.559 -5.650) 10.311 1.991 ( 5.998 -7.417 8.364) 12.687 2.140 ( 2.022 -5.828 -6.837) 9.209 2.221 ( -3.484 -12.217 1.151) 12.756 2.275 ( 4.175 -11.185 -2.183) 12.137 2.449 ( 5.626 7.626 6.964) 11.760 2.534 ( -2.342 4.121 3.564) 5.931 2.628 ( -3.068 0.402 -0.639) 3.160 2.682 ( -0.945 4.658 -2.249) 5.258 2.734 ( -4.977 1.648 7.289) 8.979 2.856 ( 1.487 2.555 -5.805) 6.514 2.982 ( -3.513 5.325 3.141) 7.111 3.000 ( -1.519 -2.331 0.670) 2.862 3.098 ( 0.355 -1.512 7.402) 7.563 3.167 ( -1.787 -1.173 0.220) 2.149 3.209 ( 1.584 -2.088 2.826) 3.854 3.261 ( 2.160 -0.984 -0.788) 2.501 3.341 ( 0.540 4.544 -0.619) 4.618 3.438 ( 3.197 4.193 -3.903) 6.560 3.490 ( -2.481 5.619 -1.998) 6.460 3.551 ( 3.506 -1.456 5.737) 6.879 3.614 ( 4.186 5.032 -0.314) 6.553 3.676 ( -1.303 -4.759 0.729) 4.988 3.728 ( 0.496 -1.879 2.429) 3.111 3.736 ( -2.229 -1.474 -1.094) 2.888 3.924 ( -1.363 1.556 0.226) 2.081 4.054 ( 0.652 1.719 -10.995) 11.148 4.121 ( 0.792 4.464 0.251) 4.541 4.150 ( -1.055 4.449 -7.033) 8.389 4.300 ( -2.420 4.758 1.322) 5.499 4.350 ( -2.296 -1.018 -1.951) 3.181 4.490 ( -0.600 -5.247 -0.695) 5.326 4.539 ( -5.535 -8.397 -3.779) 10.744 4.610 ( -3.843 -4.688 8.573) 10.500 4.711 ( 7.473 -11.817 -1.476) 14.059 4.745 ( -2.902 -5.118 0.968) 5.962 4.766 ( 6.761 1.670 -2.691) 7.466 4.892 ( -4.729 3.147 7.318) 9.264 5.005 ( 1.439 3.684 -1.433) 4.207 5.075 ( 4.583 1.734 3.496) 6.019 5.139 ( 0.050 1.060 -0.801) 1.330 5.206 ( -0.393 -3.990 -3.918) 5.606 5.225 ( -0.306 -0.197 -3.232) 3.252 5.392 ( -0.604 1.757 -1.277) 2.254 5.436 ( 1.775 0.369 -6.755) 6.994 5.520 ( -7.601 -7.298 -0.367) 10.544 5.577 ( -0.031 3.994 1.648) 4.321 5.632 ( 4.613 -7.211 -4.934) 9.880 5.683 ( 5.509 5.992 -3.629) 8.913 5.730 ( 3.066 -1.994 6.957) 7.860 5.858 ( -3.708 5.131 -3.325) 7.151 5.932 ( -0.562 -3.093 0.151) 3.147 5.981 ( 1.460 -0.407 -0.667) 1.656 6.085 ( 2.816 -0.416 7.360) 7.891 6.227 ( 2.903 -0.904 0.207) 3.048 6.269 ( 4.730 -5.594 -1.805) 7.545 6.301 ( -4.049 -4.471 -2.221) 6.428 6.484 ( 3.545 -7.956 -0.587) 8.730 6.531 ( -7.701 -2.854 -0.763) 8.249 6.629 ( 4.326 -0.890 1.716) 4.738 6.679 ( -5.181 -0.975 4.560) 6.971 6.744 ( -2.098 -7.316 2.649) 8.058 6.774 ( 5.139 1.723 1.078) 5.527 6.935 ( -4.838 -6.656 -9.101) 12.269 6.993 ( 4.404 -1.978 -15.147) 15.897 7.047 ( -8.993 -0.105 13.406) 16.143 7.183 ( 7.745 -0.841 1.131) 7.872 7.338 ( -2.428 2.049 6.652) 7.372 7.383 ( 3.520 -0.913 -2.107) 4.203 7.414 ( -1.410 0.903 -0.414) 1.725 7.495 ( 0.933 10.574 -5.787) 12.090 7.568 ( -1.664 -1.849 3.660) 4.425 7.603 ( 0.570 -3.173 2.895) 4.333 7.835 ( 0.665 0.601 1.125) 1.439 7.903 ( -1.708 4.335 0.466) 4.683 7.946 ( 2.982 -3.258 4.527) 6.324 8.019 ( -4.366 -0.650 -5.038) 6.698 8.044 ( -4.950 1.404 6.166) 8.031 8.117 ( -1.059 3.363 0.297) 3.539 8.255 ( 4.410 1.236 0.653) 4.626 8.317 ( -4.192 -2.919 -6.128) 7.978 8.375 ( -5.039 0.360 6.001) 7.844 8.407 ( 2.254 6.698 0.598) 7.092 8.438 ( 2.313 -3.994 5.259) 6.997 8.582 ( -0.983 4.014 -5.921) 7.220 8.692 ( -2.284 4.203 -0.795) 4.849 8.746 ( 4.529 5.174 -4.259) 8.088 8.866 ( 1.700 1.424 4.083) 4.647 8.981 ( -0.795 2.033 -7.323) 7.642 9.257 ( 2.313 2.112 5.336) 6.187 9.408 ( 1.918 4.428 -9.421) 10.585 9.551 ( -2.159 1.843 5.403) 6.103 9.664 ( 0.093 2.690 -5.556) 6.174 9.976 ( 9.646 2.082 5.924) 11.510 10.075 ( -10.597 0.320 -4.191) 11.400 10.309 ( 6.541 0.494 1.800) 6.802 10.334 ( -3.127 3.253 -0.766) 4.577 10.607 ( 0.443 1.006 3.064) 3.255 10.689 ( -2.674 0.569 -5.354) 6.011 11.130 ( 0.759 -7.501 5.299) 9.216 11.185 ( 2.879 -5.569 -0.280) 6.276 13.826 ( -0.131 4.383 0.822) 4.462 13.847 ( 0.206 5.195 -1.224) 5.342 13.944 ( -1.984 0.312 0.302) 2.031 13.968 ( 0.835 1.451 -2.249) 2.804 14.231 ( 0.271 0.028 1.518) 1.542 14.266 ( -0.195 -0.381 -2.084) 2.127 14.465 ( -0.616 -0.691 1.656) 1.897 14.490 ( 3.127 -1.847 -0.289) 3.643 14.618 ( -1.262 -0.059 2.491) 2.793 14.665 ( -0.627 -0.170 -0.970) 1.167 14.727 ( -1.081 2.248 0.493) 2.542 14.751 ( 0.961 0.758 -0.958) 1.554 14.969 ( 0.008 1.644 5.650) 5.884 15.106 ( -1.361 -0.645 -7.638) 7.785 15.207 ( -1.961 1.305 2.186) 3.214 15.240 ( 1.475 1.322 -0.736) 2.113 15.369 ( 0.315 -1.274 1.344) 1.878 15.405 ( 0.409 -2.600 -2.003) 3.308 15.530 ( 2.685 0.051 2.841) 3.910 15.589 ( -2.428 -0.943 -2.052) 3.316 15.684 ( 7.361 -1.030 2.280) 7.774 15.738 ( -6.296 0.522 -2.112) 6.661 15.806 ( -3.627 5.923 1.379) 7.081 15.827 ( 2.733 5.943 -0.558) 6.565 16.464 ( 1.100 2.093 -0.765) 2.485 16.498 ( -5.733 1.868 -3.985) 7.228 17.118 ( 3.281 -2.808 4.471) 6.216 17.152 ( -4.958 -3.647 0.047) 6.155 17.216 ( 5.714 -0.885 2.766) 6.410 17.315 ( -3.910 -0.493 -5.418) 6.700 17.529 ( -7.792 2.116 7.592) 11.083 17.601 ( 6.007 0.120 -1.014) 6.093 17.864 ( -4.124 -0.756 4.045) 5.826 17.914 ( 0.613 -2.928 0.623) 3.056 17.982 ( 4.649 -0.662 -2.302) 5.229 18.001 ( 0.514 -1.332 -2.984) 3.308 18.307 ( -0.116 2.869 4.035) 4.952 18.381 ( 0.230 2.335 -3.412) 4.141 18.576 ( 0.132 4.319 7.508) 8.663 18.681 ( 2.510 2.090 -1.758) 3.710 18.737 ( -0.196 -0.242 -0.421) 0.523 18.775 ( -1.530 1.350 -5.553) 5.916 19.067 ( -3.728 -1.460 5.267) 6.616 19.183 ( 3.093 -3.306 -6.516) 7.935 19.501 ( -3.358 0.350 1.495) 3.692 19.546 ( 4.519 -0.301 -3.433) 5.683 19.858 ( 1.913 -3.740 1.671) 4.521 19.884 ( -2.431 -2.489 -0.967) 3.611 20.201 ( 4.356 2.914 1.276) 5.394 20.220 ( -4.531 3.148 -0.839) 5.581 20.486 ( 4.679 -2.842 4.282) 6.950 20.565 ( -3.866 -3.168 -3.812) 6.286 21.116 ( -0.864 -1.246 1.151) 1.903 21.143 ( 1.351 -1.440 -1.598) 2.540 21.213 ( 2.787 0.436 1.400) 3.149 21.231 ( -2.989 0.450 -0.424) 3.053 21.754 ( 0.572 -0.965 0.446) 1.207 21.765 ( -1.406 -1.281 -0.696) 2.025 21.870 ( 0.169 0.963 2.647) 2.822 21.922 ( -0.091 1.094 -2.505) 2.735 21.981 ( 1.648 -1.714 3.499) 4.230 22.052 ( -0.911 -2.047 -3.640) 4.275 22.368 ( -0.963 -0.102 2.361) 2.552 22.422 ( 1.501 -1.024 -3.223) 3.700 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -16.342 -6.784 9.065) 19.881 1.380 ( -9.592 -1.624 17.489) 20.013 1.678 ( -1.907 -15.214 -0.009) 15.333 1.951 ( 5.712 -4.579 -8.483) 11.206 1.997 ( -4.906 -0.465 -3.758) 6.198 2.062 ( -4.469 -2.160 2.533) 5.572 2.245 ( 0.544 -3.645 -0.803) 3.772 2.356 ( 0.835 -1.671 -3.753) 4.193 2.485 ( -3.253 5.656 0.047) 6.525 2.514 ( -0.817 -3.351 5.104) 6.160 2.635 ( -2.652 -1.520 8.519) 9.050 2.641 ( 2.438 4.807 6.969) 8.810 2.695 ( 0.430 2.360 8.453) 8.787 2.878 ( 0.372 -0.832 -0.626) 1.106 2.913 ( 2.586 -1.023 -3.769) 4.684 2.975 ( -0.433 1.431 3.673) 3.966 3.103 ( -0.814 0.469 6.387) 6.455 3.161 ( -1.299 0.717 1.914) 2.421 3.240 ( -1.250 -1.565 -5.183) 5.557 3.283 ( 1.409 -3.693 1.245) 4.144 3.381 ( 1.497 2.461 -1.041) 3.063 3.431 ( 2.090 2.522 -4.385) 5.473 3.536 ( 0.772 -0.031 -4.047) 4.120 3.579 ( 0.012 -2.471 -1.735) 3.019 3.648 ( 2.396 6.674 1.033) 7.166 3.681 ( 0.127 -7.009 -1.195) 7.111 3.755 ( 4.426 -0.143 -0.084) 4.429 3.781 ( 3.872 0.202 1.000) 4.004 3.902 ( -4.113 7.365 2.064) 8.684 4.001 ( 1.208 3.964 -15.298) 15.850 4.089 ( -7.958 9.744 -3.803) 13.143 4.141 ( 1.693 -2.177 -4.187) 5.014 4.237 ( 3.793 -1.706 10.345) 11.150 4.279 ( -6.856 -3.165 0.655) 7.580 4.399 ( -1.698 -6.136 -4.498) 7.795 4.498 ( -3.837 -8.075 9.325) 12.918 4.569 ( -2.196 -4.375 -1.169) 5.033 4.714 ( 1.040 5.821 -1.487) 6.098 4.810 ( -2.576 -3.770 5.977) 7.521 4.834 ( 1.432 -6.818 4.868) 8.499 4.929 ( 7.449 -4.836 -5.366) 10.377 5.012 ( -0.671 -2.480 1.172) 2.824 5.134 ( 0.038 1.676 -1.201) 2.062 5.154 ( -2.020 -2.609 -1.432) 3.597 5.194 ( 2.776 3.148 -1.685) 4.523 5.246 ( 2.521 0.083 0.043) 2.523 5.323 ( -2.670 -7.098 -8.920) 11.708 5.431 ( 1.390 2.000 -0.916) 2.602 5.489 ( 3.611 -0.060 -1.427) 3.883 5.624 ( 1.580 0.088 1.841) 2.428 5.695 ( 5.037 -1.722 0.423) 5.340 5.769 ( -1.814 -1.549 -2.600) 3.528 5.812 ( 2.230 1.260 -2.379) 3.496 5.863 ( -0.403 5.519 0.787) 5.589 5.945 ( 6.139 3.254 -1.049) 7.027 6.061 ( 3.302 -3.757 -6.233) 7.992 6.106 ( -3.046 -3.266 3.805) 5.867 6.161 ( -2.446 -2.968 -1.722) 4.214 6.205 ( -1.630 -3.823 -4.698) 6.272 6.322 ( -6.422 -2.483 -4.080) 8.003 6.367 ( 1.838 -0.622 -1.737) 2.604 6.545 ( -5.117 -2.120 -0.611) 5.572 6.587 ( 1.700 -3.718 4.929) 6.403 6.694 ( 1.184 -3.422 3.936) 5.348 6.777 ( 1.602 -2.176 -1.489) 3.085 6.855 ( 0.581 -5.326 -0.360) 5.370 6.863 ( -1.025 -3.707 6.123) 7.231 6.989 ( 8.024 0.353 2.296) 8.353 7.094 ( 3.838 1.229 -15.629) 16.140 7.241 ( 0.106 -2.380 6.760) 7.168 7.332 ( -1.143 -0.972 -0.105) 1.504 7.372 ( -0.596 2.746 5.944) 6.575 7.447 ( 0.362 2.798 1.015) 2.999 7.547 ( 0.909 -4.745 2.573) 5.474 7.561 ( 4.851 7.791 -7.998) 12.174 7.710 ( 5.161 0.149 3.735) 6.372 7.756 ( -8.116 -2.357 3.224) 9.045 7.836 ( -4.327 2.675 0.396) 5.103 7.865 ( -3.852 -0.073 2.653) 4.678 7.940 ( -5.556 0.409 5.625) 7.917 7.998 ( -1.966 -1.706 -0.446) 2.641 8.106 ( 1.063 2.825 5.055) 5.887 8.228 ( -1.871 -2.700 -1.057) 3.451 8.266 ( -1.207 3.866 0.240) 4.057 8.396 ( -1.364 2.250 2.848) 3.877 8.431 ( 3.827 -0.212 4.002) 5.541 8.495 ( -0.564 5.389 0.406) 5.433 8.568 ( 1.054 7.239 -1.318) 7.433 8.709 ( 2.815 2.334 1.193) 3.846 8.757 ( -2.028 1.853 -4.214) 5.031 8.854 ( -2.014 1.469 -1.851) 3.105 8.978 ( 2.451 3.378 -8.916) 9.844 9.323 ( 2.272 0.873 -0.346) 2.458 9.443 ( 2.847 3.483 -5.543) 7.139 9.545 ( -0.678 0.741 7.466) 7.534 9.636 ( -3.281 3.584 -4.717) 6.772 9.813 ( -8.352 -1.605 -1.863) 8.706 10.065 ( -6.756 1.837 1.334) 7.127 10.238 ( -3.544 -1.262 -1.097) 3.919 10.379 ( 3.460 4.495 -1.084) 5.775 10.641 ( 4.900 -1.833 0.798) 5.292 10.766 ( 5.558 3.785 1.066) 6.808 11.070 ( -7.752 -12.619 -0.774) 14.830 11.189 ( -1.961 -3.440 -3.589) 5.344 13.841 ( 1.538 5.729 -0.987) 6.014 13.871 ( 2.191 5.036 0.542) 5.519 13.924 ( 0.239 -0.015 1.057) 1.084 14.025 ( 4.282 1.279 -0.236) 4.475 14.232 ( -0.102 0.130 1.589) 1.598 14.247 ( -1.456 0.628 -1.868) 2.450 14.436 ( -2.105 0.477 -1.348) 2.545 14.530 ( 0.958 -2.704 -2.603) 3.873 14.588 ( -0.721 -0.585 1.368) 1.653 14.682 ( 1.046 -0.205 4.836) 4.952 14.739 ( 2.135 0.722 -0.257) 2.268 14.787 ( 1.604 3.032 -0.569) 3.477 14.978 ( 0.668 -1.060 6.130) 6.256 15.056 ( -2.446 2.084 -5.576) 6.436 15.174 ( -1.335 -0.406 1.905) 2.361 15.246 ( -0.829 1.105 0.935) 1.669 15.326 ( -2.658 -1.609 -0.525) 3.151 15.418 ( 0.762 -0.725 -1.230) 1.618 15.532 ( -0.464 -1.378 -0.837) 1.677 15.623 ( 1.333 -0.221 -1.131) 1.763 15.634 ( -1.193 0.679 -4.009) 4.238 15.749 ( -1.361 4.056 3.008) 5.230 15.875 ( 5.252 3.305 0.484) 6.224 15.925 ( 9.912 3.860 2.032) 10.830 16.391 ( -2.607 -0.450 1.976) 3.301 16.545 ( 4.429 4.308 4.444) 7.611 16.882 ( -13.290 -1.937 0.993) 13.467 17.092 ( -9.087 -1.273 4.952) 10.427 17.193 ( -6.434 -0.615 -5.742) 8.645 17.343 ( 3.224 3.968 2.468) 5.677 17.510 ( 5.042 -3.955 3.309) 7.212 17.725 ( 3.830 -1.109 0.407) 4.008 17.807 ( -0.912 0.750 2.796) 3.035 17.915 ( -0.292 -3.795 0.373) 3.825 18.021 ( 2.052 -0.795 -2.356) 3.224 18.117 ( 5.493 -3.226 -0.819) 6.422 18.315 ( 0.120 2.314 4.059) 4.674 18.386 ( 1.058 2.639 -2.889) 4.053 18.583 ( -0.776 4.708 4.494) 6.555 18.709 ( 0.333 -0.148 -0.652) 0.747 18.740 ( -0.349 0.103 0.008) 0.364 18.780 ( 4.646 4.863 -5.249) 8.532 18.990 ( -4.203 -2.155 3.289) 5.755 19.232 ( 2.755 -2.031 -5.040) 6.092 19.439 ( -2.117 1.377 0.548) 2.584 19.628 ( 3.865 -0.887 -4.198) 5.775 19.834 ( -2.685 -1.305 -0.295) 3.000 19.912 ( 0.428 -3.077 1.743) 3.562 20.096 ( -1.427 -0.634 -0.091) 1.564 20.373 ( 7.564 3.409 -0.258) 8.301 20.477 ( -0.311 -4.530 -1.482) 4.777 20.624 ( 4.699 -2.559 1.478) 5.551 21.083 ( -1.514 -1.355 0.323) 2.057 21.175 ( 1.002 1.355 -1.551) 2.290 21.225 ( 2.882 -0.521 -0.237) 2.938 21.319 ( 6.760 -0.414 1.579) 6.954 21.727 ( -1.379 -0.991 0.556) 1.787 21.775 ( 0.741 -0.431 1.269) 1.531 21.855 ( -1.950 0.505 1.959) 2.810 21.892 ( -2.139 1.038 -2.469) 3.428 21.981 ( -3.092 -2.097 -0.596) 3.783 21.994 ( -2.847 -1.425 -0.932) 3.317 22.313 ( -4.442 0.072 1.968) 4.859 22.410 ( -2.426 -1.938 -4.186) 5.212 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -4.418 1.737 20.683) 21.221 1.274 ( -3.886 10.409 18.952) 21.969 1.614 ( -1.544 -6.631 -4.030) 7.912 1.752 ( -10.736 3.152 -7.935) 13.717 1.988 ( -8.992 2.593 7.207) 11.812 2.098 ( 5.097 -1.173 -6.278) 8.171 2.159 ( 0.536 -0.651 0.529) 0.996 2.357 ( -1.097 1.481 11.510) 11.657 2.438 ( -5.933 -1.890 9.279) 11.174 2.513 ( -3.698 -0.653 4.857) 6.140 2.559 ( 1.934 -4.944 -0.894) 5.383 2.638 ( -3.052 -1.861 7.176) 8.017 2.786 ( 3.985 -1.041 5.575) 6.931 2.896 ( -2.530 4.033 -1.352) 4.950 2.957 ( 5.214 -0.359 -1.117) 5.344 3.000 ( -3.033 -3.438 -1.953) 4.983 3.084 ( -0.548 3.272 0.429) 3.345 3.134 ( 0.667 -1.922 1.468) 2.508 3.244 ( 3.585 -2.169 -6.189) 7.473 3.319 ( 2.132 -0.186 3.308) 3.940 3.406 ( 2.888 -2.582 1.960) 4.341 3.472 ( 0.658 2.629 -3.924) 4.768 3.535 ( 0.674 -1.417 -1.627) 2.261 3.604 ( 3.241 -5.733 -3.622) 7.516 3.682 ( 0.421 -0.997 -0.369) 1.144 3.706 ( 0.399 4.825 -1.845) 5.181 3.777 ( -1.513 3.989 0.857) 4.352 3.836 ( 0.181 1.619 -7.283) 7.463 3.887 ( 5.439 1.628 -4.065) 6.983 3.959 ( -4.732 5.337 -3.301) 7.859 4.012 ( -0.286 1.144 -10.187) 10.255 4.137 ( 1.105 -8.537 0.553) 8.626 4.204 ( 2.352 -0.795 1.290) 2.798 4.279 ( -8.621 -2.768 -6.356) 11.063 4.389 ( -6.232 -2.119 1.240) 6.698 4.432 ( 8.647 0.758 5.738) 10.405 4.627 ( 4.725 -2.254 -1.670) 5.495 4.676 ( -2.887 -0.244 6.620) 7.226 4.728 ( -4.782 -10.433 7.205) 13.551 4.821 ( -1.662 -3.450 -1.462) 4.099 5.003 ( 0.331 -3.733 -1.353) 3.985 5.018 ( -0.769 -9.578 2.632) 9.962 5.112 ( -2.770 -3.377 -0.365) 4.383 5.164 ( 4.308 0.554 0.081) 4.344 5.259 ( 3.200 2.436 -2.431) 4.700 5.299 ( 1.016 -5.935 -7.348) 9.500 5.332 ( 5.516 -3.467 3.618) 7.452 5.456 ( -4.955 -3.652 -1.843) 6.426 5.463 ( -0.429 3.015 -1.868) 3.572 5.653 ( -2.152 2.060 -0.325) 2.997 5.712 ( -1.847 -3.521 -0.247) 3.984 5.799 ( -0.283 1.867 -7.193) 7.437 5.837 ( 2.093 1.821 6.402) 6.977 5.892 ( 7.030 4.951 0.447) 8.610 5.966 ( -2.803 -0.562 -6.019) 6.663 6.008 ( 0.537 7.401 0.288) 7.426 6.112 ( 1.757 -3.631 0.432) 4.057 6.199 ( 3.776 -5.445 -7.381) 9.919 6.208 ( 0.652 -0.993 1.715) 2.086 6.326 ( -1.102 0.739 -6.747) 6.877 6.338 ( 1.309 4.239 -1.690) 4.748 6.409 ( -5.793 -3.756 -0.914) 6.964 6.661 ( 2.375 -6.767 10.576) 12.779 6.692 ( 1.906 -0.075 1.767) 2.600 6.790 ( 1.097 -3.490 -3.975) 5.402 6.871 ( 1.319 -8.016 4.180) 9.136 7.000 ( 9.094 -2.687 3.387) 10.069 7.050 ( -2.394 5.362 -15.304) 16.391 7.158 ( 3.477 2.679 3.271) 5.474 7.295 ( -2.283 -3.235 -1.035) 4.092 7.324 ( 0.754 2.006 1.832) 2.820 7.382 ( 4.117 -1.047 4.061) 5.877 7.429 ( -0.171 2.751 0.961) 2.919 7.545 ( -5.270 -0.736 4.639) 7.059 7.562 ( -5.488 -2.677 2.191) 6.487 7.585 ( -1.624 -5.521 2.708) 6.360 7.721 ( -4.434 3.385 0.169) 5.581 7.752 ( -1.822 -3.818 0.132) 4.233 7.865 ( 0.324 0.327 -2.125) 2.174 7.894 ( 1.080 3.491 0.631) 3.708 8.004 ( 1.985 0.726 -2.976) 3.650 8.112 ( -0.768 -3.286 6.143) 7.009 8.237 ( 1.354 2.779 4.062) 5.105 8.288 ( 3.080 5.242 2.777) 6.684 8.366 ( -2.922 7.262 5.935) 9.823 8.408 ( -1.218 5.713 0.457) 5.859 8.514 ( 1.062 6.182 -0.787) 6.322 8.607 ( 2.049 0.588 1.552) 2.637 8.640 ( -4.824 8.270 -5.965) 11.281 8.775 ( 0.524 -0.341 0.206) 0.659 8.875 ( 3.170 2.013 -1.953) 4.233 8.984 ( -0.942 -0.200 -7.352) 7.415 9.329 ( -1.145 6.559 -3.882) 7.707 9.389 ( -10.247 7.229 2.042) 12.706 9.502 ( 2.018 -4.655 5.113) 7.203 9.636 ( 2.685 -0.183 -0.502) 2.738 9.751 ( -0.019 -5.488 -2.177) 5.904 9.886 ( -7.345 -0.579 -2.976) 7.947 10.160 ( -0.596 -1.947 -3.603) 4.139 10.479 ( 0.772 3.042 -0.086) 3.139 10.734 ( -0.810 -4.566 -1.335) 4.826 10.788 ( -11.692 -7.069 -2.117) 13.826 10.864 ( 3.367 3.210 2.857) 5.459 11.116 ( -3.851 -1.202 -4.000) 5.681 13.878 ( 2.063 6.042 -1.675) 6.601 13.903 ( 0.017 3.413 0.022) 3.414 13.976 ( 3.913 3.208 2.257) 5.541 14.131 ( 4.444 1.969 -0.128) 4.862 14.207 ( -0.895 0.605 -0.130) 1.088 14.247 ( 1.365 1.047 1.854) 2.529 14.382 ( -2.267 0.477 -2.612) 3.491 14.515 ( -2.734 -2.132 -1.804) 3.908 14.610 ( 2.320 -1.688 -0.509) 2.914 14.693 ( -1.464 0.108 2.188) 2.635 14.766 ( 0.788 3.850 1.592) 4.240 14.846 ( 2.811 -2.332 5.335) 6.465 14.941 ( -0.845 1.216 -6.536) 6.702 15.092 ( 1.689 -1.707 3.650) 4.370 15.139 ( 0.262 -1.176 -0.074) 1.207 15.231 ( -1.025 2.232 1.384) 2.819 15.297 ( -0.154 -4.354 3.065) 5.326 15.437 ( 0.833 -1.857 -2.215) 3.008 15.531 ( -1.988 -3.533 -1.443) 4.303 15.546 ( -0.479 -3.276 -7.316) 8.030 15.710 ( 3.881 10.034 2.529) 11.052 15.770 ( 2.731 1.017 2.757) 4.012 15.935 ( 2.646 6.362 -1.963) 7.164 16.183 ( 11.254 1.737 2.506) 11.660 16.382 ( -1.950 -0.817 3.391) 3.997 16.510 ( -5.931 -5.684 6.150) 10.262 16.783 ( -1.381 6.643 0.630) 6.814 16.891 ( -3.998 2.145 9.442) 10.476 17.048 ( -4.667 -0.353 -5.900) 7.531 17.375 ( -0.359 4.765 -0.519) 4.807 17.628 ( 4.615 -4.450 0.754) 6.456 17.767 ( 1.233 -2.397 0.240) 2.706 17.823 ( 1.090 0.468 1.737) 2.104 17.891 ( -2.552 -2.541 -0.549) 3.643 18.065 ( 2.308 -2.091 -0.247) 3.124 18.162 ( -0.869 -4.288 0.929) 4.473 18.331 ( 0.959 1.519 3.601) 4.024 18.406 ( 0.552 2.321 -0.190) 2.393 18.565 ( -0.805 4.211 2.233) 4.834 18.682 ( -2.972 0.805 0.032) 3.079 18.746 ( 0.726 -0.035 2.748) 2.842 18.871 ( -0.728 0.160 -0.011) 0.745 19.002 ( 9.810 2.590 -4.528) 11.111 19.274 ( 1.508 -0.561 -4.344) 4.633 19.433 ( 2.022 2.272 -0.365) 3.063 19.698 ( 3.597 -0.613 -4.574) 5.851 19.731 ( -7.704 1.014 0.358) 7.779 19.832 ( -6.096 0.132 1.608) 6.306 20.200 ( 8.439 -6.614 1.010) 10.770 20.433 ( 1.007 -4.523 -4.554) 6.497 20.599 ( 6.866 -1.170 2.992) 7.581 20.679 ( 0.720 -2.562 -0.687) 2.748 21.075 ( 1.680 -0.291 0.848) 1.905 21.199 ( 1.151 2.233 -0.321) 2.533 21.314 ( 5.152 0.276 -1.262) 5.312 21.495 ( 8.863 -2.136 0.242) 9.120 21.707 ( -1.419 -0.095 0.963) 1.717 21.777 ( -6.793 -0.845 -2.035) 7.142 21.791 ( 0.448 1.050 1.570) 1.941 21.850 ( -0.633 0.648 -0.353) 0.972 21.872 ( -3.560 -0.086 -1.720) 3.955 21.940 ( -3.194 -1.959 1.587) 4.069 22.201 ( -5.783 -0.074 1.233) 5.913 22.294 ( -7.557 -1.908 -4.028) 8.774 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 2.114 7.088 16.930) 18.475 1.445 ( -2.221 -1.123 -1.849) 3.100 1.596 ( 0.993 8.987 14.065) 16.720 1.799 ( 0.702 -2.981 4.647) 5.565 1.896 ( 6.619 4.530 -3.622) 8.801 2.058 ( -6.285 9.285 -12.155) 16.536 2.104 ( -4.997 -2.895 9.807) 11.381 2.279 ( 4.465 -6.145 -2.891) 8.127 2.409 ( -2.153 -3.998 18.847) 19.386 2.460 ( 6.413 -8.061 15.236) 18.392 2.578 ( -5.353 3.681 4.249) 7.763 2.689 ( 6.324 8.240 -1.100) 10.445 2.825 ( -5.106 3.381 -11.733) 13.235 2.861 ( -1.783 1.091 -9.655) 9.879 2.920 ( 0.681 -0.581 5.226) 5.302 3.039 ( -1.123 4.067 -2.875) 5.106 3.065 ( -6.277 1.273 0.825) 6.458 3.179 ( 2.798 2.600 -4.678) 6.040 3.344 ( -4.063 2.252 3.540) 5.841 3.349 ( 1.249 -3.441 2.579) 4.478 3.390 ( 9.362 -3.768 -0.121) 10.092 3.461 ( 0.660 4.030 -4.182) 5.845 3.558 ( 2.540 -5.417 -2.013) 6.312 3.605 ( -1.145 -3.212 -7.891) 8.596 3.631 ( -4.077 1.126 -2.117) 4.729 3.649 ( -0.310 2.373 -3.357) 4.123 3.824 ( 2.437 0.913 0.929) 2.764 3.871 ( -1.737 -2.012 -2.167) 3.429 3.906 ( 1.324 -1.802 -1.395) 2.635 3.942 ( -1.392 -7.164 -2.956) 7.874 4.004 ( -0.329 2.215 5.144) 5.610 4.096 ( 4.760 1.307 -5.018) 7.039 4.207 ( -0.426 3.603 1.798) 4.049 4.274 ( 3.518 -4.316 -1.576) 5.787 4.318 ( -7.698 3.400 7.441) 11.233 4.370 ( 2.773 -1.517 -3.416) 4.654 4.412 ( -3.756 -6.144 -0.387) 7.212 4.577 ( 3.699 -5.763 -9.322) 11.567 4.691 ( -5.382 -4.342 5.513) 8.844 4.774 ( 3.889 -6.846 6.894) 10.465 4.840 ( 2.145 -5.709 -3.805) 7.188 4.907 ( -0.852 -6.975 2.170) 7.355 5.047 ( 0.393 -1.502 -3.645) 3.962 5.091 ( -0.688 -5.700 2.137) 6.126 5.197 ( -3.412 0.515 0.260) 3.460 5.282 ( 4.850 -0.182 -4.833) 6.849 5.386 ( -1.711 0.869 0.988) 2.158 5.443 ( 0.666 1.942 -4.028) 4.521 5.545 ( -0.343 -1.218 4.514) 4.688 5.596 ( 4.946 2.584 5.978) 8.178 5.616 ( -5.325 1.008 0.866) 5.488 5.782 ( -1.707 5.511 -11.990) 13.305 5.789 ( 2.759 -9.839 10.317) 14.520 5.926 ( -3.706 -11.707 4.174) 12.969 5.966 ( 4.717 -8.133 0.457) 9.413 5.997 ( 0.247 -2.406 -5.816) 6.299 6.064 ( -3.322 -0.074 -2.305) 4.044 6.126 ( -0.712 -5.839 -6.409) 8.699 6.246 ( -3.762 6.533 5.102) 9.103 6.332 ( -0.960 5.727 -3.979) 7.039 6.404 ( 2.449 2.818 -2.900) 4.728 6.494 ( 6.785 3.786 -7.415) 10.740 6.581 ( -6.617 -2.187 13.677) 15.350 6.717 ( 0.566 -6.432 5.063) 8.205 6.809 ( -0.170 3.535 -6.825) 7.688 6.860 ( 3.017 -2.323 -7.122) 8.076 6.965 ( 0.646 -1.245 3.493) 3.764 7.069 ( -8.173 -2.392 0.375) 8.524 7.180 ( 3.720 2.746 3.829) 6.003 7.245 ( -4.317 2.787 1.399) 5.326 7.302 ( -1.330 -5.007 4.878) 7.116 7.355 ( -0.181 -0.697 -0.381) 0.815 7.401 ( -0.713 -2.542 0.033) 2.641 7.497 ( -1.375 0.901 2.656) 3.124 7.564 ( 8.278 4.348 -8.476) 12.620 7.616 ( 1.506 -1.374 -1.203) 2.367 7.656 ( 0.191 0.308 -8.968) 8.976 7.717 ( -3.189 -1.842 -4.608) 5.899 7.874 ( 3.728 3.734 6.809) 8.615 7.936 ( -2.817 -0.396 6.370) 6.976 8.021 ( 2.447 3.021 -3.382) 5.154 8.100 ( 1.536 -3.972 -6.414) 7.699 8.319 ( 2.429 4.165 5.398) 7.237 8.394 ( -4.127 1.395 -2.349) 4.949 8.524 ( 4.472 7.021 4.461) 9.444 8.590 ( -0.972 5.989 -0.604) 6.098 8.614 ( 5.154 1.921 3.757) 6.661 8.684 ( -4.362 2.003 -2.878) 5.596 8.729 ( 0.433 8.969 7.728) 11.847 8.818 ( 2.744 4.105 0.943) 5.027 8.930 ( -2.655 2.166 -1.072) 3.590 8.965 ( -1.530 4.514 -5.570) 7.331 9.306 ( 0.650 -1.726 8.910) 9.099 9.413 ( -6.956 -2.944 5.838) 9.547 9.444 ( 1.350 -1.968 -0.761) 2.505 9.493 ( 0.768 -7.543 -5.714) 9.494 9.738 ( -3.448 0.438 -0.298) 3.488 9.794 ( 4.049 2.779 -5.497) 7.371 10.176 ( -7.297 -0.798 3.057) 7.951 10.212 ( 5.183 -2.192 -0.633) 5.663 10.731 ( 2.262 2.040 0.976) 3.198 10.782 ( 0.919 -0.850 -3.753) 3.956 10.974 ( 0.720 2.569 3.049) 4.051 11.026 ( -2.637 -0.055 -2.254) 3.470 13.972 ( 0.061 4.429 1.240) 4.600 14.008 ( -0.040 3.817 -2.402) 4.510 14.113 ( 2.416 2.247 2.483) 4.129 14.151 ( -2.642 0.552 -1.155) 2.936 14.302 ( 3.952 1.643 0.220) 4.285 14.318 ( -1.118 1.853 0.275) 2.181 14.356 ( 2.533 -0.280 0.614) 2.621 14.393 ( -4.410 -1.284 -1.762) 4.920 14.626 ( 0.795 0.216 2.747) 2.868 14.656 ( -1.767 0.329 -0.167) 1.805 14.832 ( -0.055 0.119 3.896) 3.899 14.899 ( 1.189 2.324 6.660) 7.154 14.919 ( -0.275 -1.759 -4.936) 5.248 15.032 ( -0.603 1.535 -5.139) 5.398 15.156 ( 1.110 -4.099 1.826) 4.623 15.201 ( -0.778 -1.331 -1.740) 2.325 15.282 ( 1.836 -0.932 1.761) 2.709 15.355 ( -0.631 -3.762 -4.701) 6.054 15.432 ( 0.556 -2.859 -0.558) 2.966 15.452 ( -2.613 -2.622 -2.909) 4.708 15.871 ( -1.329 5.901 3.402) 6.940 15.921 ( 1.718 4.729 -1.413) 5.226 16.114 ( -0.282 0.137 1.159) 1.201 16.148 ( -0.326 -0.423 -2.420) 2.478 16.479 ( 5.170 0.028 5.136) 7.288 16.522 ( 3.826 -0.046 2.467) 4.552 16.617 ( -2.682 0.493 4.563) 5.316 16.768 ( -4.898 -4.922 -8.577) 11.036 17.342 ( 5.585 8.487 3.664) 10.800 17.431 ( -1.301 7.009 -5.072) 8.749 17.612 ( -0.225 -5.036 2.942) 5.837 17.670 ( -0.771 -4.484 -3.145) 5.531 17.824 ( 0.198 -0.675 1.427) 1.591 17.852 ( 2.144 -1.388 -1.270) 2.852 18.050 ( -0.247 -2.169 0.871) 2.350 18.060 ( -1.148 -2.604 -0.160) 2.850 18.396 ( 0.723 1.962 3.565) 4.133 18.435 ( -0.678 0.956 -0.406) 1.240 18.630 ( -1.153 1.953 1.795) 2.892 18.653 ( 1.058 0.773 -1.279) 1.831 18.751 ( -0.959 -0.479 3.924) 4.068 18.803 ( -0.110 -2.487 -0.672) 2.579 19.214 ( 1.673 2.007 2.122) 3.366 19.252 ( -3.068 0.464 -1.337) 3.379 19.583 ( -2.003 4.625 2.921) 5.825 19.653 ( 2.574 3.290 -3.174) 5.247 19.720 ( -4.579 1.150 0.508) 4.749 19.766 ( 4.669 -0.480 -3.005) 5.573 20.201 ( 3.105 -7.027 2.306) 8.021 20.237 ( -3.912 -7.364 -0.820) 8.379 20.618 ( -0.253 -0.489 -0.050) 0.553 20.661 ( 0.644 -2.769 -4.204) 5.075 21.215 ( 3.068 1.965 2.006) 4.159 21.225 ( 1.310 0.735 1.032) 1.823 21.394 ( 0.721 -1.248 -1.211) 1.882 21.402 ( -7.863 -1.606 -2.127) 8.303 21.706 ( -1.279 1.731 1.148) 2.439 21.721 ( 0.698 1.401 -0.293) 1.592 21.810 ( -1.606 -1.061 1.739) 2.594 21.834 ( 2.615 -1.818 -0.391) 3.209 21.888 ( 0.486 0.435 -0.824) 1.051 21.893 ( 1.289 0.286 -1.168) 1.763 22.131 ( 1.039 -0.311 0.251) 1.113 22.137 ( -1.499 -0.692 -0.285) 1.675 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.116 -2.720 7.771) 10.256 1.376 ( -3.883 -8.188 1.635) 9.209 1.628 ( 1.993 6.072 -6.537) 9.142 1.775 ( 0.094 11.645 8.225) 14.257 1.969 ( -3.665 -6.410 1.221) 7.483 2.009 ( 1.277 -4.023 3.339) 5.382 2.162 ( 3.696 9.013 -3.843) 10.472 2.315 ( -5.236 -0.750 7.499) 9.177 2.371 ( -0.387 1.215 7.027) 7.141 2.557 ( 6.992 -11.566 1.014) 13.553 2.651 ( 3.193 -1.862 8.611) 9.371 2.730 ( 0.577 1.910 -5.176) 5.547 2.747 ( -0.140 1.873 -1.951) 2.708 2.879 ( 4.254 7.077 0.436) 8.269 2.952 ( 2.883 -1.907 2.433) 4.228 2.976 ( -4.024 -0.338 10.039) 10.821 3.036 ( 3.033 2.525 -1.638) 4.273 3.150 ( -4.286 3.823 -1.448) 5.923 3.191 ( -6.472 -3.836 -1.260) 7.628 3.314 ( -1.994 2.901 -4.515) 5.725 3.475 ( -2.225 2.477 0.414) 3.355 3.514 ( -1.735 2.977 -0.286) 3.457 3.524 ( -1.959 -3.253 -1.460) 4.068 3.576 ( 0.708 4.392 -4.028) 6.001 3.668 ( 4.642 -5.673 -4.219) 8.457 3.748 ( 9.038 -3.319 -6.269) 11.489 3.754 ( -4.384 0.052 0.031) 4.384 3.861 ( -1.943 2.104 -0.598) 2.926 3.879 ( 0.611 4.982 2.887) 5.790 3.945 ( 1.207 -4.554 -0.798) 4.779 4.032 ( -0.292 -6.991 -4.214) 8.168 4.134 ( -4.081 8.197 1.918) 9.355 4.174 ( -2.377 5.073 0.165) 5.605 4.287 ( 10.540 -1.626 -9.408) 14.222 4.321 ( 0.273 -7.108 -0.551) 7.134 4.386 ( 0.582 -2.369 2.469) 3.471 4.528 ( 9.505 -0.421 4.069) 10.348 4.619 ( 0.329 -4.394 3.985) 5.941 4.693 ( 6.872 -12.165 -9.194) 16.726 4.759 ( -3.717 -6.161 4.563) 8.520 4.840 ( -1.756 -1.204 4.662) 5.125 4.979 ( 1.079 -4.016 -2.255) 4.730 5.014 ( 0.220 -3.889 -1.436) 4.152 5.123 ( 1.901 -7.075 -3.336) 8.050 5.185 ( 1.654 7.505 2.810) 8.182 5.258 ( -6.313 3.583 -0.715) 7.295 5.367 ( 2.996 -1.211 -6.059) 6.867 5.467 ( -0.511 -0.317 -3.015) 3.074 5.504 ( -5.243 0.615 3.786) 6.496 5.579 ( 3.579 -2.802 6.490) 7.923 5.689 ( -0.820 -3.447 2.506) 4.340 5.736 ( -0.807 2.502 -7.097) 7.568 5.786 ( -3.516 -8.266 8.426) 12.316 5.862 ( 2.361 -0.288 -3.473) 4.210 5.974 ( -2.744 -5.029 -3.731) 6.837 6.032 ( -2.620 1.643 -0.368) 3.114 6.079 ( 2.800 -5.792 2.194) 6.797 6.131 ( 4.110 -2.831 -2.157) 5.437 6.186 ( -3.837 0.991 0.596) 4.008 6.277 ( -8.567 -1.325 3.853) 9.487 6.315 ( 2.039 -0.483 -3.629) 4.191 6.494 ( -2.324 10.149 -1.698) 10.549 6.568 ( -9.574 -5.617 -4.088) 11.829 6.624 ( -0.893 0.762 5.136) 5.269 6.772 ( 0.320 -4.864 -3.487) 5.994 6.816 ( -6.977 4.846 7.346) 11.231 6.946 ( 2.643 -5.711 -4.800) 7.915 7.070 ( -0.313 1.165 0.542) 1.322 7.120 ( -1.371 1.120 3.068) 3.542 7.216 ( 0.900 2.025 8.458) 8.744 7.311 ( -5.494 -4.365 -1.178) 7.116 7.342 ( 2.077 -4.208 1.733) 5.002 7.431 ( 2.896 0.370 0.132) 2.922 7.495 ( 0.383 -1.777 7.978) 8.183 7.593 ( -3.121 -1.402 -0.371) 3.441 7.623 ( -1.280 -1.606 -0.427) 2.098 7.728 ( 9.183 2.329 -10.495) 14.139 7.849 ( 1.353 1.968 0.023) 2.388 7.870 ( 4.531 3.070 -4.731) 7.234 7.931 ( 0.689 1.579 1.166) 2.081 7.991 ( -0.092 0.384 -6.552) 6.564 8.163 ( 3.983 -6.039 -5.253) 8.941 8.395 ( 4.876 4.334 3.429) 7.370 8.430 ( 1.959 6.858 0.825) 7.180 8.492 ( -6.385 3.410 -4.038) 8.289 8.536 ( -5.811 2.827 2.191) 6.824 8.582 ( -1.890 3.933 -3.338) 5.494 8.682 ( -0.779 5.490 2.970) 6.290 8.769 ( 1.779 4.642 4.652) 6.808 8.839 ( -0.162 4.412 -2.234) 4.947 8.880 ( -1.965 2.777 2.994) 4.532 8.964 ( 0.949 4.945 -2.773) 5.749 9.336 ( -0.578 -2.834 6.106) 6.757 9.410 ( 9.049 -1.922 4.461) 10.271 9.444 ( -0.599 -0.979 -4.381) 4.529 9.528 ( 2.997 -5.031 2.403) 6.330 9.704 ( -0.424 2.877 1.453) 3.251 9.947 ( 10.007 -2.651 -4.099) 11.134 10.110 ( 1.191 6.950 1.857) 7.292 10.373 ( 6.558 -4.538 3.020) 8.527 10.751 ( 0.800 0.061 -2.042) 2.194 10.760 ( -1.327 -0.824 -5.772) 5.979 10.947 ( -3.399 2.247 0.980) 4.191 11.018 ( 1.112 -0.623 3.396) 3.627 13.956 ( -1.647 4.572 0.804) 4.925 13.981 ( -1.901 2.698 -1.942) 3.830 14.079 ( -3.564 2.502 -1.096) 4.490 14.160 ( 0.843 2.584 2.701) 3.832 14.234 ( -4.395 -0.518 -3.180) 5.449 14.295 ( -3.298 -0.604 -1.068) 3.519 14.367 ( 2.228 1.552 -0.336) 2.736 14.437 ( 1.869 -1.189 2.151) 3.088 14.602 ( -1.157 1.576 1.045) 2.217 14.670 ( 1.560 -1.202 2.285) 3.017 14.827 ( -0.784 1.220 3.218) 3.529 14.860 ( -3.813 -0.603 0.759) 3.935 14.948 ( 2.454 4.848 -1.416) 5.615 15.106 ( 6.291 -0.305 -3.092) 7.016 15.155 ( 0.399 -1.191 -0.491) 1.349 15.220 ( 1.498 -5.640 1.861) 6.125 15.304 ( -1.189 -1.020 -2.338) 2.814 15.326 ( -0.570 -2.170 -2.298) 3.212 15.391 ( -1.618 -1.539 0.396) 2.268 15.456 ( 1.278 -3.963 0.209) 4.169 15.820 ( -3.365 4.428 1.438) 5.744 15.909 ( -2.352 3.104 -1.005) 4.022 16.024 ( -1.660 6.263 0.910) 6.543 16.255 ( -11.617 -0.718 0.298) 11.643 16.353 ( 8.933 -0.169 -1.242) 9.020 16.550 ( -3.146 -6.714 -6.504) 9.863 16.772 ( 10.338 2.521 6.151) 12.291 16.874 ( 11.417 -2.057 1.737) 11.730 17.220 ( -8.712 7.181 -4.839) 12.283 17.500 ( -4.945 -1.368 -0.534) 5.158 17.541 ( 2.430 0.655 -2.346) 3.440 17.701 ( 1.084 -2.979 0.129) 3.173 17.839 ( 0.988 0.048 -0.184) 1.006 17.893 ( 1.500 -1.906 -3.079) 3.920 18.010 ( -2.739 -1.445 1.285) 3.353 18.055 ( -1.255 -4.063 2.763) 5.072 18.388 ( -1.334 1.819 2.366) 3.269 18.419 ( -1.229 0.799 0.683) 1.617 18.619 ( 0.952 4.215 2.999) 5.260 18.708 ( 2.011 -0.445 -1.354) 2.465 18.719 ( -2.085 0.189 2.194) 3.033 18.839 ( 3.438 -4.521 1.864) 5.978 19.120 ( -7.473 5.513 -2.962) 9.747 19.194 ( -3.422 0.015 3.276) 4.737 19.502 ( -2.031 4.193 -1.004) 4.766 19.616 ( -3.812 -0.832 1.819) 4.305 19.790 ( 4.208 2.462 -2.707) 5.576 19.861 ( 4.503 -0.175 -1.302) 4.690 20.126 ( -4.011 -2.893 -1.204) 5.090 20.240 ( 0.189 -6.710 3.305) 7.482 20.591 ( -2.847 -0.209 0.878) 2.986 20.636 ( -2.582 -3.810 -3.982) 6.086 21.130 ( -4.317 3.307 -2.106) 5.832 21.233 ( -3.074 -0.975 -1.915) 3.751 21.283 ( -3.924 1.672 3.758) 5.685 21.397 ( -2.806 -3.963 3.243) 5.839 21.713 ( 2.009 1.509 1.796) 3.089 21.759 ( 3.479 0.594 0.727) 3.603 21.785 ( -1.139 -0.006 0.866) 1.431 21.861 ( -0.364 -1.720 -1.288) 2.180 21.884 ( 1.152 1.104 -1.418) 2.135 21.929 ( 3.423 -2.333 -1.920) 4.566 22.213 ( 6.276 0.069 0.173) 6.279 22.241 ( 6.764 -0.955 -0.653) 6.862 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -3.081 -12.607 -2.917) 13.301 1.315 ( -2.363 -18.309 -5.872) 19.372 1.703 ( 7.482 2.934 -6.134) 10.110 1.831 ( 0.520 -3.555 5.521) 6.587 1.883 ( -1.716 -3.745 -2.318) 4.727 1.978 ( -9.056 -7.527 5.803) 13.128 2.064 ( -2.094 4.295 2.682) 5.480 2.264 ( -3.042 1.541 -3.561) 4.930 2.446 ( 5.437 6.309 10.236) 13.196 2.605 ( -2.771 -1.541 4.320) 5.358 2.668 ( -3.832 1.330 0.543) 4.092 2.766 ( 8.505 -3.496 1.070) 9.258 2.821 ( -4.897 0.788 4.654) 6.802 2.853 ( 2.745 -2.736 5.044) 6.361 2.968 ( 1.321 4.915 -4.005) 6.477 3.022 ( 1.470 -5.446 3.106) 6.440 3.094 ( -1.767 3.385 0.299) 3.830 3.121 ( 4.532 1.666 -2.407) 5.395 3.218 ( 2.953 3.406 7.924) 9.117 3.259 ( -2.139 2.249 -0.170) 3.109 3.407 ( -0.074 0.218 4.929) 4.934 3.479 ( -1.623 0.378 -2.105) 2.685 3.500 ( -0.202 -0.524 -3.286) 3.334 3.558 ( -3.338 7.075 -1.256) 7.923 3.647 ( 0.218 -2.274 -5.699) 6.140 3.731 ( 1.852 0.010 -1.082) 2.145 3.735 ( -6.567 2.880 -0.365) 7.180 3.843 ( -4.560 6.302 5.186) 9.349 3.928 ( 2.611 1.063 -1.641) 3.262 4.027 ( 2.773 -7.271 -5.311) 9.422 4.048 ( 5.908 -1.797 -2.602) 6.701 4.158 ( 4.482 5.834 0.545) 7.377 4.204 ( 3.556 -2.574 -2.941) 5.284 4.314 ( 2.590 -6.945 -2.022) 7.683 4.349 ( -1.203 -10.744 -0.890) 10.847 4.507 ( 7.362 1.633 -9.326) 11.993 4.594 ( -2.547 5.962 6.171) 8.950 4.652 ( -3.100 -1.964 3.071) 4.786 4.756 ( 3.083 -8.115 1.349) 8.785 4.828 ( 3.249 1.013 3.028) 4.555 4.854 ( 4.938 -3.609 -2.793) 6.724 4.915 ( -4.714 -1.651 -0.145) 4.997 5.061 ( 5.331 -4.633 0.484) 7.080 5.114 ( -3.525 6.498 -3.206) 8.058 5.140 ( -0.535 -3.407 -2.839) 4.467 5.226 ( -1.078 3.206 0.150) 3.386 5.369 ( -3.061 1.830 -6.113) 7.077 5.426 ( -0.938 -4.776 2.590) 5.514 5.464 ( 0.765 0.944 -1.709) 2.097 5.583 ( -4.394 -4.985 -5.281) 8.488 5.642 ( -3.375 -4.509 3.009) 6.386 5.717 ( 1.884 -5.379 -0.450) 5.717 5.773 ( -0.198 -0.259 3.090) 3.107 5.873 ( -2.079 1.800 -2.236) 3.544 5.926 ( -2.967 -3.548 -1.382) 4.827 5.993 ( 2.564 -1.992 1.862) 3.743 6.032 ( -4.629 -2.707 2.570) 5.946 6.147 ( 0.604 -1.488 0.176) 1.615 6.189 ( -2.349 5.589 -0.989) 6.142 6.249 ( 0.142 -5.754 2.584) 6.309 6.309 ( 1.630 -6.653 -1.072) 6.933 6.375 ( 1.331 -0.159 -5.031) 5.206 6.556 ( 0.480 -5.672 3.447) 6.655 6.583 ( 1.959 2.326 1.261) 3.292 6.745 ( 0.377 4.092 5.570) 6.922 6.837 ( -1.890 -2.480 5.502) 6.324 6.951 ( -1.281 0.926 -5.217) 5.451 7.025 ( -0.721 -0.332 -4.204) 4.279 7.100 ( -2.018 1.727 -0.331) 2.677 7.179 ( -5.054 -4.536 4.545) 8.172 7.257 ( 0.742 -0.831 1.624) 1.970 7.383 ( -0.137 -4.957 0.491) 4.983 7.443 ( 0.845 0.603 3.641) 3.786 7.474 ( -3.790 0.405 5.808) 6.947 7.542 ( 1.531 -0.331 1.595) 2.236 7.686 ( -1.469 -6.956 4.800) 8.578 7.792 ( 3.848 6.365 1.406) 7.570 7.876 ( 5.636 4.747 -2.252) 7.705 7.923 ( 0.157 6.584 -0.181) 6.588 8.008 ( 6.334 -0.814 -4.279) 7.687 8.117 ( 5.818 -2.927 -13.656) 15.129 8.210 ( 2.599 -5.008 -4.261) 7.070 8.315 ( -7.794 1.972 -2.414) 8.394 8.350 ( -6.126 8.428 -2.220) 10.653 8.396 ( -7.586 0.080 3.853) 8.509 8.486 ( 2.686 2.991 2.158) 4.563 8.520 ( -5.070 0.994 -3.442) 6.208 8.655 ( -3.571 1.234 0.518) 3.813 8.783 ( 1.539 4.636 -0.447) 4.905 8.833 ( -0.261 3.367 2.165) 4.011 8.879 ( 0.988 4.455 4.244) 6.232 8.984 ( 1.139 3.176 -2.600) 4.259 9.320 ( -2.116 -0.683 5.098) 5.561 9.424 ( -0.087 -1.928 -7.879) 8.112 9.634 ( 7.405 3.275 2.394) 8.443 9.678 ( 6.169 7.454 0.065) 9.676 9.741 ( 8.771 -0.854 4.037) 9.693 10.099 ( 4.955 -9.017 1.551) 10.405 10.220 ( 5.264 8.849 -2.093) 10.507 10.400 ( -2.503 0.785 1.752) 3.155 10.704 ( -1.652 0.966 -5.596) 5.914 10.809 ( -2.395 -0.648 0.916) 2.645 10.902 ( 4.261 -2.647 -0.134) 5.018 11.034 ( -0.574 -4.250 4.270) 6.052 13.916 ( -1.934 2.288 -0.142) 2.999 13.933 ( -2.080 1.770 -1.000) 2.909 14.016 ( -1.693 4.716 -1.155) 5.142 14.098 ( -4.498 4.537 -1.737) 6.621 14.212 ( 0.575 -1.597 1.125) 2.036 14.248 ( -1.052 -2.294 -0.898) 2.679 14.410 ( 1.979 0.323 0.378) 2.041 14.448 ( -0.246 -1.117 1.375) 1.789 14.610 ( 1.517 1.715 0.950) 2.479 14.705 ( 1.398 -2.406 1.069) 2.981 14.767 ( -4.765 1.567 0.081) 5.017 14.802 ( -2.330 1.103 2.168) 3.368 15.001 ( 1.999 4.781 -0.468) 5.203 15.148 ( -1.537 -0.632 -6.873) 7.071 15.217 ( 4.395 1.093 -0.740) 4.589 15.255 ( -0.097 -0.542 2.164) 2.233 15.267 ( 0.877 -0.789 2.498) 2.762 15.363 ( 1.880 -3.597 0.951) 4.169 15.402 ( 4.109 -3.188 3.509) 6.274 15.481 ( 1.558 -3.515 -1.367) 4.080 15.745 ( -3.570 4.060 -1.972) 5.755 15.865 ( -2.117 0.092 -1.491) 2.591 15.972 ( -5.404 6.659 -0.081) 8.576 16.018 ( -7.612 4.047 0.931) 8.671 16.456 ( 2.435 0.271 -4.127) 4.799 16.606 ( 5.619 -3.788 -1.083) 6.863 16.918 ( 1.505 3.423 0.283) 3.750 17.100 ( 7.182 -3.137 1.392) 7.960 17.121 ( 3.145 3.773 1.069) 5.026 17.353 ( -6.511 -6.358 -0.823) 9.138 17.569 ( 0.283 2.789 -3.998) 4.883 17.685 ( -3.495 -1.895 1.172) 4.144 17.864 ( 1.224 0.168 0.269) 1.265 17.891 ( -1.303 -0.935 0.928) 1.853 17.954 ( -1.768 -0.994 -0.794) 2.178 17.997 ( -3.835 -3.223 2.440) 5.572 18.371 ( -0.888 2.435 3.770) 4.575 18.403 ( 0.373 0.961 0.208) 1.051 18.669 ( 0.194 6.169 5.600) 8.334 18.682 ( 1.444 2.168 -1.032) 2.802 18.727 ( 0.076 -1.072 -1.394) 1.760 18.887 ( -1.216 1.395 -0.132) 1.855 19.031 ( 1.383 -2.310 -5.814) 6.407 19.109 ( -4.639 -1.910 3.368) 6.042 19.494 ( 1.209 1.919 -1.685) 2.825 19.555 ( -2.396 -0.688 1.349) 2.835 19.807 ( -0.967 -0.414 -0.359) 1.111 19.884 ( -2.325 -3.317 -1.814) 4.438 20.138 ( 5.316 3.016 -1.306) 6.250 20.286 ( 3.821 -2.901 4.239) 6.402 20.469 ( -7.462 0.821 -0.726) 7.542 20.569 ( -3.693 -4.829 -1.502) 6.262 21.088 ( -0.117 0.961 -0.894) 1.318 21.157 ( -3.396 -1.702 -0.590) 3.844 21.221 ( -1.856 1.825 1.803) 3.166 21.306 ( -4.541 -1.842 0.772) 4.961 21.730 ( 0.021 0.158 -0.262) 0.307 21.768 ( -1.068 -1.320 0.284) 1.722 21.854 ( 3.033 0.385 2.014) 3.661 21.884 ( 3.179 -1.156 2.856) 4.427 21.926 ( 2.101 1.263 -2.211) 3.301 21.991 ( 2.391 -2.523 -2.567) 4.321 22.329 ( 3.966 -0.011 0.820) 4.050 22.354 ( 3.869 -0.996 -1.532) 4.279 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.703 -19.292 0.762) 19.320 1.204 ( -7.037 -22.838 -9.961) 25.891 1.763 ( -9.059 0.954 4.581) 10.196 1.800 ( 0.095 -5.486 3.779) 6.662 1.894 ( 5.403 -9.424 -3.322) 11.359 1.932 ( 6.646 -8.796 -6.344) 12.719 2.084 ( 2.114 3.809 3.371) 5.508 2.188 ( -1.249 3.702 -5.883) 7.062 2.554 ( 1.034 -0.548 5.020) 5.155 2.592 ( -0.891 -2.317 8.100) 8.472 2.643 ( 4.473 4.983 4.673) 8.165 2.724 ( -4.699 3.994 11.486) 13.037 2.883 ( -0.933 6.670 -6.664) 9.474 2.902 ( 1.069 4.558 -1.558) 4.934 2.935 ( -4.595 -3.180 7.566) 9.406 3.028 ( 0.233 1.991 -3.874) 4.361 3.087 ( 1.037 0.260 3.779) 3.927 3.165 ( 0.025 -1.320 -1.114) 1.728 3.214 ( -0.388 -0.427 5.409) 5.440 3.240 ( -0.586 -1.130 2.953) 3.216 3.382 ( -4.711 -4.014 2.854) 6.816 3.471 ( 4.124 0.505 -5.027) 6.522 3.538 ( 2.695 2.271 4.423) 5.656 3.578 ( 1.770 2.888 0.109) 3.389 3.618 ( -4.258 1.729 -1.263) 4.766 3.656 ( -0.084 2.414 -3.505) 4.256 3.760 ( -2.143 5.433 1.417) 6.010 3.770 ( 2.673 5.676 -0.980) 6.350 3.978 ( 3.142 0.527 -3.715) 4.894 4.070 ( 1.239 -1.978 -12.171) 12.392 4.092 ( 0.602 -6.122 6.440) 8.906 4.202 ( -0.656 -5.218 -5.465) 7.585 4.267 ( 2.422 -3.855 0.908) 4.643 4.286 ( -3.690 -9.521 2.748) 10.574 4.421 ( -5.940 4.048 5.797) 9.234 4.507 ( 0.779 0.468 -1.491) 1.746 4.537 ( -3.128 1.448 4.111) 5.365 4.645 ( 1.685 7.043 -3.510) 8.048 4.716 ( -0.105 1.030 0.464) 1.134 4.843 ( 2.405 2.563 -9.205) 9.853 4.909 ( -2.794 -0.996 1.438) 3.297 4.942 ( 1.641 -6.634 4.421) 8.139 5.084 ( 1.120 -3.570 3.453) 5.091 5.132 ( 4.333 0.630 -0.027) 4.379 5.144 ( 0.086 -0.416 -3.409) 3.435 5.256 ( -1.352 2.804 -4.344) 5.344 5.322 ( -2.808 -4.204 -1.843) 5.381 5.352 ( 1.952 -7.092 -6.678) 9.935 5.475 ( 1.169 1.079 -4.700) 4.962 5.494 ( -2.947 -5.336 -7.229) 9.456 5.656 ( 2.044 -2.599 5.662) 6.557 5.743 ( -1.167 -0.258 3.607) 3.800 5.767 ( 2.766 0.854 -0.575) 2.951 5.789 ( 0.144 -10.583 -5.616) 11.982 5.928 ( -3.395 -0.047 -0.188) 3.400 5.931 ( 1.393 -1.586 1.048) 2.357 6.070 ( 1.046 -5.202 4.842) 7.183 6.146 ( 0.014 0.400 -0.455) 0.606 6.175 ( 0.306 3.799 3.540) 5.202 6.284 ( 2.950 0.845 -4.408) 5.371 6.369 ( 4.170 -2.007 3.661) 5.901 6.490 ( -7.832 -2.395 -5.830) 10.054 6.510 ( 6.433 -9.054 0.794) 11.135 6.645 ( 0.589 -4.195 -1.185) 4.399 6.706 ( 1.170 -3.781 -1.456) 4.218 6.799 ( -2.947 2.528 9.549) 10.308 6.860 ( -2.875 4.699 -7.278) 9.128 7.021 ( -4.501 0.821 16.399) 17.025 7.070 ( 2.285 1.650 -14.051) 14.330 7.176 ( 3.956 -1.452 7.677) 8.757 7.321 ( 3.287 -1.803 -3.406) 5.065 7.366 ( -2.048 -0.733 -2.930) 3.649 7.415 ( -1.164 0.938 7.808) 7.950 7.455 ( 2.090 -3.937 2.636) 5.178 7.614 ( -2.898 -0.381 4.157) 5.082 7.635 ( 5.135 1.183 -1.969) 5.625 7.893 ( -2.026 3.444 7.347) 8.363 7.920 ( 0.508 3.566 2.347) 4.299 7.960 ( 0.456 2.031 1.103) 2.356 8.051 ( -1.741 2.300 -1.641) 3.319 8.078 ( -3.423 2.304 -3.935) 5.701 8.163 ( -3.726 0.404 -5.119) 6.344 8.242 ( -7.001 -2.315 0.609) 7.399 8.295 ( 3.943 -2.978 -3.777) 6.220 8.353 ( 6.142 2.063 -2.452) 6.928 8.391 ( -4.545 3.020 1.581) 5.681 8.529 ( -2.320 0.212 -0.873) 2.487 8.615 ( 5.264 -1.957 -6.682) 8.729 8.782 ( -3.631 5.540 4.708) 8.126 8.836 ( 1.120 4.533 2.008) 5.083 8.929 ( 1.572 4.400 1.510) 4.911 8.993 ( 0.948 -0.023 -3.349) 3.481 9.298 ( -0.297 1.789 3.638) 4.065 9.414 ( 0.562 -2.916 -7.438) 8.009 9.661 ( -2.421 8.685 6.595) 11.171 9.774 ( 2.911 6.571 -4.276) 8.363 9.998 ( 7.370 0.343 3.019) 7.972 10.066 ( -7.085 -1.453 -3.598) 8.078 10.306 ( 6.287 -0.453 1.876) 6.577 10.365 ( -2.391 -0.953 -3.853) 4.634 10.661 ( -8.036 4.996 4.076) 10.303 10.737 ( 4.995 4.503 -3.899) 7.774 10.976 ( -3.696 -7.750 5.633) 10.269 11.052 ( 4.493 -7.744 -2.238) 9.229 13.889 ( -0.262 1.511 0.501) 1.613 13.904 ( -0.267 0.375 -1.056) 1.152 14.005 ( -0.305 6.154 0.506) 6.182 14.031 ( -0.481 4.925 -2.231) 5.428 14.218 ( 0.021 -1.684 1.293) 2.123 14.239 ( 0.036 -2.718 -0.782) 2.829 14.448 ( 0.325 -0.916 -0.123) 0.980 14.454 ( 1.918 -1.349 -0.839) 2.490 14.650 ( 0.568 2.884 2.516) 3.869 14.677 ( -2.549 1.626 0.416) 3.052 14.742 ( 0.181 -0.985 1.234) 1.589 14.751 ( 0.042 -0.572 0.405) 0.703 15.018 ( -0.567 3.113 1.548) 3.522 15.093 ( -1.740 -0.744 -5.165) 5.501 15.238 ( -1.233 1.697 2.769) 3.474 15.263 ( 0.871 0.706 1.327) 1.737 15.346 ( 1.934 -0.809 0.259) 2.113 15.365 ( 0.617 -1.359 -2.575) 2.976 15.522 ( 4.708 -1.113 2.037) 5.250 15.544 ( 1.687 -2.894 1.362) 3.616 15.685 ( 1.097 1.089 -1.281) 2.008 15.734 ( -7.213 -0.785 -4.028) 8.299 15.923 ( -2.519 5.164 1.364) 5.906 15.940 ( 2.579 4.568 -0.290) 5.254 16.541 ( 4.019 5.967 0.042) 7.194 16.566 ( -5.814 5.212 -2.241) 8.124 17.025 ( 6.113 -6.505 0.898) 8.972 17.041 ( -7.699 -7.127 -0.822) 10.523 17.231 ( 3.679 2.250 4.684) 6.367 17.306 ( -1.865 -0.633 -2.188) 2.944 17.563 ( -6.534 1.172 3.629) 7.566 17.594 ( 3.831 -0.907 -0.736) 4.006 17.850 ( -2.655 -0.488 4.665) 5.389 17.868 ( -1.617 -1.609 3.416) 4.107 17.968 ( 3.285 -0.807 -3.935) 5.190 17.971 ( 2.292 -1.289 -4.528) 5.236 18.368 ( -0.238 3.107 4.030) 5.094 18.418 ( 0.528 1.026 -0.591) 1.296 18.661 ( 0.070 2.832 2.481) 3.765 18.706 ( -0.597 -0.194 -1.910) 2.010 18.760 ( 2.350 4.837 2.650) 5.995 18.840 ( -0.715 5.038 -5.086) 7.195 19.022 ( -4.226 -3.440 3.325) 6.383 19.092 ( 3.856 -6.018 -3.730) 8.062 19.509 ( -2.175 0.509 0.905) 2.411 19.536 ( 2.718 -0.749 -1.876) 3.386 19.800 ( 0.777 -1.976 1.133) 2.407 19.829 ( -1.666 -2.877 -1.767) 3.765 20.255 ( -1.515 3.332 2.423) 4.389 20.301 ( 1.646 4.673 -2.373) 5.494 20.414 ( 1.696 -4.408 3.890) 6.119 20.486 ( -1.199 -4.845 -3.432) 6.057 21.093 ( -0.914 -0.895 0.559) 1.396 21.111 ( 0.961 -1.649 -1.274) 2.295 21.225 ( 1.873 0.730 1.096) 2.289 21.239 ( -1.671 0.219 -0.277) 1.708 21.735 ( 0.019 -0.819 0.377) 0.902 21.741 ( -0.772 -1.081 -0.239) 1.350 21.888 ( 0.126 0.987 2.878) 3.046 21.941 ( 0.598 -1.216 2.620) 2.949 21.948 ( 0.476 0.563 -2.207) 2.327 22.009 ( -0.342 -2.157 -3.375) 4.020 22.368 ( -0.475 0.229 1.179) 1.292 22.399 ( 0.680 -1.265 -1.987) 2.451 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -3.912 -10.358 1.789) 11.215 1.148 ( 5.907 -17.235 8.421) 20.071 1.583 ( -8.199 2.766 5.146) 10.068 1.855 ( 3.372 -7.280 -2.125) 8.300 1.922 ( 0.297 -5.098 -1.247) 5.256 2.079 ( 1.036 -4.444 -4.827) 6.642 2.127 ( 7.321 1.884 -1.549) 7.717 2.280 ( 7.570 -2.755 -4.097) 9.038 2.505 ( -6.148 3.553 9.675) 12.001 2.609 ( 0.535 -1.992 6.432) 6.755 2.620 ( -5.193 6.526 -1.291) 8.440 2.726 ( -12.424 -0.685 8.954) 15.330 2.811 ( 8.706 1.576 5.080) 10.202 2.842 ( -1.944 7.865 1.417) 8.224 2.939 ( -0.256 -0.581 2.242) 2.330 3.009 ( -2.568 3.981 1.454) 4.955 3.072 ( 0.458 -1.516 2.227) 2.733 3.146 ( -1.682 -3.097 0.418) 3.549 3.220 ( 1.767 -1.963 -3.008) 4.003 3.282 ( 0.962 1.608 1.751) 2.564 3.400 ( 5.478 -0.005 0.251) 5.484 3.477 ( -5.147 4.279 -2.464) 7.133 3.550 ( -1.527 0.145 -0.424) 1.591 3.583 ( 2.326 2.541 -2.736) 4.399 3.610 ( 1.613 -5.560 1.895) 6.091 3.628 ( 1.137 2.868 -0.600) 3.143 3.782 ( 3.581 4.256 -2.232) 5.993 3.856 ( 3.334 3.029 0.924) 4.598 4.006 ( -5.880 -0.268 -4.381) 7.338 4.027 ( -1.328 -0.822 -9.247) 9.378 4.088 ( -3.764 -6.229 -5.813) 9.315 4.139 ( 0.968 -7.304 4.481) 8.623 4.201 ( -5.955 6.225 1.259) 8.706 4.275 ( -2.081 -9.301 4.911) 10.722 4.299 ( 0.273 -1.458 -0.135) 1.490 4.400 ( -2.914 3.877 -0.729) 4.904 4.578 ( -1.333 7.170 1.661) 7.479 4.652 ( 0.573 -3.598 5.235) 6.378 4.734 ( -5.629 -1.752 3.791) 7.009 4.829 ( -1.434 0.179 -0.545) 1.544 4.923 ( 5.740 0.770 -4.981) 7.639 4.979 ( 0.351 -0.567 5.498) 5.539 5.033 ( -3.502 -10.568 -7.349) 13.340 5.143 ( -5.987 -1.404 -6.296) 8.801 5.194 ( 2.750 -2.171 -0.228) 3.511 5.225 ( 1.076 -0.247 -10.180) 10.239 5.282 ( 4.849 5.394 4.088) 8.326 5.381 ( -2.049 -5.268 -3.305) 6.548 5.472 ( 4.663 -6.519 5.998) 10.011 5.566 ( 3.299 -2.661 -2.391) 4.866 5.650 ( 0.029 -3.923 2.709) 4.767 5.764 ( 0.483 2.450 -4.414) 5.072 5.822 ( -1.353 -8.846 -0.684) 8.975 5.890 ( 4.298 -0.873 -4.398) 6.211 5.900 ( 5.082 -3.995 0.374) 6.475 6.013 ( 4.045 -4.619 0.693) 6.179 6.051 ( 1.760 2.521 5.238) 6.074 6.135 ( -2.806 -1.782 4.586) 5.664 6.190 ( 0.340 5.027 -1.438) 5.240 6.261 ( -6.477 -1.878 -3.741) 7.712 6.329 ( 4.187 -3.828 -4.290) 7.113 6.450 ( -0.309 -6.186 -10.926) 12.559 6.538 ( -4.520 0.954 -0.469) 4.643 6.667 ( 4.121 -4.650 -4.087) 7.436 6.730 ( 1.676 3.009 2.082) 4.024 6.861 ( 3.246 -1.431 10.512) 11.094 6.902 ( 2.496 4.405 1.033) 5.168 6.928 ( 0.603 3.506 6.503) 7.412 7.124 ( 2.641 0.071 -6.911) 7.399 7.220 ( -0.274 -2.707 3.600) 4.512 7.285 ( -0.640 -2.263 -2.027) 3.105 7.384 ( 0.075 -7.846 -5.515) 9.591 7.449 ( 2.172 3.232 4.295) 5.798 7.524 ( 0.001 4.535 0.864) 4.616 7.608 ( 2.776 -3.295 3.472) 5.533 7.725 ( -1.679 1.219 -0.592) 2.158 7.762 ( -3.123 3.964 2.748) 5.746 7.872 ( -4.252 1.633 2.707) 5.298 7.926 ( -3.365 -1.002 3.357) 4.858 7.955 ( -4.564 4.868 -4.037) 7.799 8.012 ( -2.406 3.586 -5.527) 7.014 8.111 ( -4.962 -5.231 3.815) 8.157 8.215 ( 4.657 2.545 1.041) 5.408 8.319 ( 0.223 1.458 5.638) 5.828 8.399 ( 2.781 -0.953 3.504) 4.573 8.457 ( 2.761 1.568 1.747) 3.624 8.555 ( 6.355 3.132 -5.611) 9.037 8.712 ( 0.556 5.616 0.258) 5.649 8.751 ( 2.045 1.084 -3.447) 4.152 8.794 ( -4.138 2.318 5.303) 7.114 8.934 ( -0.516 5.726 0.742) 5.797 9.042 ( 3.264 2.066 -7.211) 8.181 9.311 ( 0.516 -0.723 3.058) 3.185 9.416 ( 0.221 -3.981 -3.476) 5.290 9.593 ( -4.564 3.694 3.184) 6.679 9.774 ( -9.128 -3.068 1.321) 9.720 9.793 ( -4.051 10.519 -8.454) 14.090 10.082 ( -5.854 -2.215 1.703) 6.487 10.252 ( -5.758 4.485 -3.736) 8.200 10.441 ( 5.007 0.981 -2.324) 5.607 10.601 ( 3.157 -1.423 3.938) 5.244 10.798 ( -5.802 -9.050 2.837) 11.118 10.891 ( 1.136 3.481 0.539) 3.701 11.107 ( 0.808 -4.992 -2.878) 5.819 13.915 ( 1.923 0.625 -0.068) 2.023 13.922 ( 2.556 1.443 0.186) 2.941 13.996 ( 0.500 6.537 0.454) 6.571 14.075 ( 3.717 3.761 0.325) 5.298 14.223 ( 0.087 -1.684 0.955) 1.938 14.238 ( 0.009 -1.369 -0.319) 1.406 14.442 ( -0.865 0.116 -2.838) 2.969 14.484 ( 0.896 -2.011 -2.275) 3.166 14.602 ( -2.185 2.098 1.536) 3.397 14.681 ( -0.625 -0.220 3.237) 3.304 14.743 ( 2.508 0.609 2.278) 3.442 14.829 ( 4.282 -0.317 -0.266) 4.302 14.983 ( -2.674 2.306 3.525) 4.989 15.073 ( 0.118 -0.595 -1.642) 1.750 15.200 ( -3.040 2.891 1.301) 4.392 15.261 ( -1.238 0.354 1.611) 2.062 15.317 ( -2.921 0.506 -3.931) 4.924 15.390 ( 1.307 -1.397 -1.831) 2.648 15.494 ( -1.510 -2.320 -3.416) 4.397 15.540 ( -5.358 -5.443 -7.382) 10.622 15.690 ( 5.277 3.329 2.928) 6.892 15.800 ( 4.329 -0.989 4.963) 6.660 15.956 ( 6.019 6.677 1.248) 9.076 16.030 ( 5.866 4.495 -0.046) 7.391 16.403 ( -5.981 2.401 0.787) 6.492 16.595 ( -5.255 -1.718 0.430) 5.545 16.888 ( 0.149 4.732 1.873) 5.091 17.075 ( -6.930 -0.935 3.084) 7.642 17.186 ( -7.280 0.109 -2.812) 7.805 17.334 ( 7.879 -6.135 0.566) 10.002 17.500 ( -0.429 4.333 3.477) 5.572 17.685 ( 3.199 -3.323 0.412) 4.631 17.815 ( -0.788 0.081 3.607) 3.693 17.846 ( -0.953 -2.712 2.303) 3.683 18.011 ( 2.415 -0.106 -3.733) 4.448 18.058 ( 3.692 -2.648 -2.303) 5.094 18.366 ( -0.503 2.818 3.471) 4.499 18.422 ( 0.279 0.754 -0.766) 1.111 18.666 ( -0.620 2.975 1.221) 3.275 18.699 ( 0.171 -0.613 -0.137) 0.651 18.755 ( -1.091 2.522 -0.983) 2.919 18.912 ( 6.696 5.967 -3.251) 9.540 18.934 ( -4.254 -1.630 3.493) 5.741 19.174 ( 4.465 -4.187 -2.939) 6.790 19.475 ( -0.709 2.485 0.159) 2.589 19.596 ( 3.267 -2.664 -2.596) 4.951 19.808 ( -0.836 -1.197 -0.427) 1.521 19.841 ( 1.990 -3.494 2.348) 4.656 20.124 ( -5.423 3.441 0.190) 6.425 20.349 ( -3.802 -7.026 -1.273) 8.090 20.446 ( 7.560 2.980 0.646) 8.151 20.569 ( 4.774 -3.169 -1.315) 5.879 21.078 ( -0.181 0.811 0.109) 0.838 21.158 ( 2.557 -2.368 -0.596) 3.535 21.244 ( 2.699 1.875 -0.467) 3.319 21.305 ( 5.577 -1.086 0.842) 5.744 21.718 ( -0.439 0.127 0.868) 0.981 21.758 ( 1.199 -1.297 1.064) 2.062 21.868 ( -2.555 0.914 1.712) 3.208 21.915 ( -2.298 1.272 -2.376) 3.542 21.934 ( -2.475 -2.532 1.064) 3.697 21.965 ( -2.986 -1.517 -2.608) 4.245 22.318 ( -4.301 0.577 0.979) 4.448 22.370 ( -3.282 -2.071 -2.122) 4.423 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 6.538 6.110 12.867) 15.673 1.372 ( 12.580 -6.958 12.089) 18.783 1.479 ( -2.092 2.468 3.245) 4.583 1.846 ( -1.898 0.585 1.170) 2.305 1.918 ( -5.008 -2.250 -1.834) 5.788 2.107 ( 3.336 1.241 0.233) 3.567 2.201 ( -1.107 -0.513 -2.315) 2.617 2.323 ( -4.797 -7.605 5.376) 10.476 2.393 ( -6.756 -1.835 7.180) 10.028 2.477 ( -5.878 1.861 7.323) 9.573 2.575 ( 2.305 6.030 -2.752) 7.018 2.671 ( -0.097 3.710 7.339) 8.224 2.791 ( 0.351 6.923 -0.793) 6.977 2.917 ( -0.922 0.283 1.800) 2.042 2.942 ( 1.897 -2.387 -0.322) 3.066 3.049 ( 5.828 -5.934 -4.703) 9.555 3.105 ( -1.736 7.499 5.779) 9.625 3.181 ( -2.439 1.470 -2.292) 3.656 3.198 ( 3.084 1.807 -5.125) 6.248 3.261 ( 3.204 -2.796 -1.911) 4.663 3.449 ( -1.100 4.519 3.033) 5.552 3.510 ( 1.060 0.929 -0.719) 1.582 3.531 ( 1.623 2.987 -1.127) 3.582 3.554 ( 1.533 -0.933 -1.217) 2.168 3.635 ( 0.079 -1.049 -4.341) 4.467 3.736 ( -7.702 -4.282 -4.804) 10.037 3.765 ( 7.092 -5.187 0.485) 8.800 3.825 ( -0.698 0.926 -0.668) 1.338 3.940 ( -3.117 -2.054 -0.698) 3.798 3.966 ( 2.129 0.471 -3.273) 3.933 4.033 ( -2.196 -0.695 -4.079) 4.685 4.126 ( -4.020 2.849 4.522) 6.688 4.177 ( 2.376 -9.613 1.428) 10.005 4.222 ( -2.799 4.227 0.801) 5.132 4.313 ( 3.289 -0.774 -7.982) 8.668 4.459 ( 3.585 -2.684 -0.835) 4.555 4.499 ( -5.897 -6.570 6.044) 10.699 4.595 ( -7.049 -0.180 -1.483) 7.206 4.657 ( 1.834 1.612 1.611) 2.925 4.788 ( -3.002 -2.146 -3.359) 4.990 4.863 ( -4.918 -7.796 12.181) 15.275 4.979 ( -3.220 -9.169 -4.135) 10.561 5.004 ( 1.292 2.264 -4.549) 5.243 5.135 ( 2.981 -5.922 -8.247) 10.582 5.197 ( -1.785 -0.717 6.481) 6.760 5.257 ( 1.947 0.060 -4.146) 4.580 5.338 ( 2.337 3.406 -2.917) 5.057 5.424 ( 3.120 -0.042 3.422) 4.631 5.536 ( 0.256 1.345 0.142) 1.376 5.586 ( -3.150 -6.265 1.094) 7.097 5.654 ( 4.296 -4.716 6.007) 8.762 5.708 ( -1.228 -4.325 1.515) 4.744 5.875 ( -4.962 2.691 -3.876) 6.847 5.897 ( 1.898 -5.037 -0.356) 5.395 5.930 ( -0.976 -8.628 -2.140) 8.943 6.076 ( 5.157 -2.762 -3.686) 6.915 6.096 ( 2.946 0.346 -0.868) 3.091 6.147 ( -2.394 2.220 -3.681) 4.920 6.179 ( -0.462 0.675 -0.049) 0.820 6.284 ( 7.665 -3.120 2.499) 8.645 6.394 ( 0.812 5.321 -6.049) 8.097 6.438 ( -1.675 2.388 0.824) 3.031 6.537 ( 7.560 -2.842 -3.213) 8.692 6.691 ( 0.230 -7.912 5.722) 9.767 6.788 ( 2.002 3.971 -7.217) 8.477 6.793 ( -0.631 6.432 2.942) 7.101 6.985 ( 3.808 1.084 6.350) 7.484 7.041 ( 0.370 -9.059 -6.653) 11.246 7.190 ( 5.365 2.153 1.069) 5.879 7.263 ( 4.137 -4.022 1.267) 5.908 7.278 ( -2.607 -0.285 -2.836) 3.863 7.357 ( -0.512 -7.944 0.055) 7.960 7.454 ( -0.456 6.520 0.934) 6.602 7.467 ( -5.016 2.363 1.773) 5.821 7.583 ( -3.565 2.372 2.264) 4.844 7.655 ( -0.859 3.372 -2.014) 4.021 7.744 ( -8.860 1.525 0.372) 8.998 7.798 ( -0.642 5.286 3.645) 6.452 7.820 ( -1.964 -3.835 -8.685) 9.695 7.945 ( 2.683 0.805 -2.570) 3.801 8.012 ( -1.590 -2.139 3.101) 4.089 8.034 ( 1.355 -3.723 -0.404) 3.982 8.303 ( 2.754 4.162 8.737) 10.062 8.401 ( 4.435 6.903 4.518) 9.367 8.460 ( 1.210 -1.234 2.375) 2.937 8.494 ( 1.517 3.520 2.073) 4.357 8.612 ( -0.242 7.455 -2.873) 7.993 8.713 ( -0.806 7.114 6.565) 9.714 8.754 ( -0.546 1.689 -2.928) 3.424 8.767 ( 0.831 0.530 2.908) 3.071 8.949 ( 1.359 5.112 -1.281) 5.443 9.038 ( -2.623 4.961 -7.470) 9.343 9.305 ( -2.091 -4.703 5.316) 7.400 9.415 ( 0.897 -5.816 -0.955) 5.962 9.506 ( -2.866 1.817 -2.895) 4.461 9.576 ( -6.668 -4.163 0.286) 7.866 9.765 ( -0.170 6.004 -5.205) 7.948 9.884 ( -10.007 0.200 0.751) 10.037 10.159 ( -1.224 2.230 -2.431) 3.519 10.419 ( -11.088 -8.711 -0.717) 14.119 10.659 ( 2.720 0.392 3.594) 4.524 10.731 ( 3.336 -2.092 0.099) 3.939 10.946 ( 1.938 4.943 0.551) 5.338 11.085 ( -2.072 -2.118 -2.959) 4.188 13.952 ( 1.512 2.409 0.737) 2.938 13.986 ( 2.449 3.709 -2.158) 4.941 14.043 ( 3.488 3.528 2.196) 5.425 14.177 ( 5.072 0.828 2.484) 5.708 14.204 ( -1.026 0.714 -1.276) 1.786 14.267 ( 2.525 0.584 1.852) 3.185 14.396 ( -2.651 0.889 -3.355) 4.368 14.471 ( -2.133 -2.300 -1.458) 3.459 14.594 ( 1.104 0.382 1.505) 1.905 14.676 ( -0.291 -1.899 2.246) 2.956 14.816 ( 2.829 0.757 3.915) 4.889 14.870 ( -0.757 5.796 -0.743) 5.892 14.941 ( -1.109 -1.753 0.138) 2.079 15.094 ( 0.851 -3.540 2.892) 4.650 15.115 ( -3.015 4.678 -2.689) 6.181 15.244 ( -1.184 -1.037 -0.058) 1.575 15.256 ( -1.090 -0.099 0.745) 1.324 15.396 ( -1.949 -4.828 -5.208) 7.364 15.431 ( -0.976 -3.295 -4.575) 5.722 15.485 ( -0.010 -3.207 -3.345) 4.634 15.819 ( 5.457 3.958 2.003) 7.032 15.871 ( 2.532 4.921 2.912) 6.254 16.043 ( 1.405 5.886 -0.988) 6.131 16.229 ( 12.118 2.252 2.106) 12.504 16.355 ( -6.920 -2.426 -0.231) 7.336 16.399 ( -1.492 -5.291 6.852) 8.785 16.846 ( -12.034 1.612 -0.543) 12.153 16.925 ( -5.764 -1.230 -2.236) 6.304 17.132 ( 7.492 9.960 2.979) 12.814 17.490 ( 0.077 6.541 -0.275) 6.547 17.511 ( 5.780 -7.432 1.309) 9.506 17.713 ( -0.331 -3.643 -1.042) 3.804 17.821 ( 0.413 -0.741 2.292) 2.444 17.833 ( -0.721 -2.504 1.707) 3.115 18.041 ( 0.847 -0.496 -1.513) 1.804 18.087 ( -0.502 -3.156 -0.678) 3.267 18.370 ( 0.556 2.469 3.210) 4.088 18.434 ( 0.721 0.278 0.223) 0.804 18.639 ( -1.390 3.256 0.090) 3.541 18.689 ( -1.602 -0.097 0.068) 1.606 18.750 ( 0.238 0.674 1.228) 1.421 18.840 ( -3.482 -2.851 0.821) 4.575 19.096 ( 8.855 6.085 -0.585) 10.760 19.252 ( 2.731 -1.897 -2.135) 3.952 19.496 ( 3.219 4.361 -0.603) 5.453 19.667 ( 3.951 -2.764 -2.969) 5.663 19.757 ( -4.397 1.450 0.588) 4.667 19.827 ( -4.271 -1.188 1.781) 4.778 20.104 ( 3.626 -1.852 0.881) 4.166 20.294 ( -1.566 -8.661 -1.645) 8.954 20.582 ( 4.201 -0.109 0.886) 4.295 20.637 ( 2.380 -2.173 -3.397) 4.683 21.100 ( 3.093 2.486 1.045) 4.104 21.203 ( 1.718 -1.665 1.161) 2.659 21.337 ( 5.010 2.113 -1.795) 5.726 21.443 ( 5.731 -3.089 -1.142) 6.609 21.721 ( -0.082 1.539 1.001) 1.837 21.778 ( -5.609 0.913 -1.531) 5.885 21.793 ( 1.758 -0.855 1.437) 2.426 21.852 ( -3.593 -1.568 -0.789) 3.999 21.868 ( -0.846 0.704 -0.329) 1.149 21.906 ( -2.274 -1.349 0.151) 2.648 22.204 ( -5.998 0.515 0.620) 6.052 22.255 ( -6.828 -2.011 -1.606) 7.297 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -3.594 -5.412 9.582) 11.577 1.363 ( -3.594 5.412 9.582) 11.577 1.726 ( 7.278 -5.960 -1.672) 9.555 1.726 ( 7.278 5.960 -1.672) 9.555 2.013 ( -4.257 -8.055 13.875) 16.598 2.013 ( -4.257 8.055 13.875) 16.598 2.213 ( 4.673 -2.633 -6.192) 8.192 2.213 ( 4.673 2.633 -6.192) 8.192 2.337 ( -0.535 -4.985 10.370) 11.519 2.337 ( -0.535 4.985 10.370) 11.519 2.705 ( -8.423 -9.654 -4.840) 13.696 2.705 ( -8.423 9.654 -4.840) 13.696 2.843 ( 3.034 -5.797 -0.246) 6.547 2.843 ( 3.034 5.797 -0.246) 6.547 3.005 ( 2.867 -6.289 -11.894) 13.757 3.005 ( 2.867 6.289 -11.894) 13.757 3.207 ( -4.088 -8.711 7.538) 12.224 3.207 ( -4.088 8.711 7.538) 12.224 3.298 ( 2.028 -6.499 0.507) 6.827 3.298 ( 2.028 6.499 0.507) 6.827 3.440 ( -1.484 -6.980 4.739) 8.566 3.440 ( -1.484 6.980 4.739) 8.566 3.548 ( 0.473 -2.105 -5.727) 6.120 3.548 ( 0.473 2.105 -5.727) 6.120 3.697 ( 0.772 -1.648 -2.618) 3.188 3.697 ( 0.772 1.648 -2.618) 3.188 3.776 ( 2.327 -2.608 -2.898) 4.541 3.776 ( 2.327 2.608 -2.898) 4.541 3.888 ( -1.364 -6.035 -2.922) 6.843 3.888 ( -1.364 6.035 -2.922) 6.843 4.042 ( 2.965 -9.180 -1.357) 9.742 4.042 ( 2.965 9.180 -1.357) 9.742 4.225 ( -0.570 -8.804 6.668) 11.059 4.225 ( -0.570 8.804 6.668) 11.059 4.365 ( 2.962 -5.525 -2.970) 6.937 4.365 ( 2.962 5.525 -2.970) 6.937 4.489 ( -3.594 -4.905 -6.047) 8.576 4.489 ( -3.594 4.905 -6.047) 8.576 4.658 ( -3.657 -4.844 8.657) 10.572 4.658 ( -3.657 4.844 8.657) 10.572 4.787 ( 4.141 -3.921 0.969) 5.784 4.787 ( 4.141 3.921 0.969) 5.784 5.015 ( -2.947 -1.849 -2.650) 4.374 5.015 ( -2.947 1.849 -2.650) 4.374 5.291 ( 1.776 -3.380 -7.846) 8.726 5.291 ( 1.776 3.380 -7.846) 8.726 5.416 ( 1.437 -5.091 3.328) 6.250 5.416 ( 1.437 5.091 3.328) 6.250 5.557 ( -1.563 -5.557 9.238) 10.893 5.557 ( -1.563 5.557 9.238) 10.893 5.689 ( 1.965 -3.191 6.945) 7.892 5.689 ( 1.965 3.191 6.945) 7.892 5.782 ( -0.500 -3.304 -2.969) 4.470 5.782 ( -0.500 3.304 -2.969) 4.470 5.918 ( 0.113 -6.095 -13.124) 14.470 5.918 ( 0.113 6.095 -13.124) 14.470 6.067 ( -1.535 -1.572 -2.310) 3.188 6.067 ( -1.535 1.572 -2.310) 3.188 6.358 ( -6.966 -3.271 6.608) 10.144 6.358 ( -6.966 3.271 6.608) 10.144 6.479 ( 9.628 -6.155 -4.366) 12.233 6.479 ( 9.628 6.155 -4.366) 12.233 6.623 ( -1.557 -3.377 5.356) 6.521 6.623 ( -1.557 3.377 5.356) 6.521 6.817 ( -3.441 -1.083 -9.352) 10.023 6.817 ( -3.441 1.083 -9.352) 10.023 7.008 ( 0.022 -3.145 0.915) 3.275 7.008 ( 0.022 3.145 0.915) 3.275 7.220 ( 2.181 -3.404 9.447) 10.276 7.220 ( 2.181 3.404 9.447) 10.276 7.314 ( -2.594 -2.778 0.853) 3.895 7.314 ( -2.594 2.778 0.853) 3.895 7.464 ( -2.916 -4.963 -0.897) 5.826 7.464 ( -2.916 4.963 -0.897) 5.826 7.602 ( 4.470 -1.393 -10.745) 11.721 7.602 ( 4.470 1.393 -10.745) 11.721 7.682 ( -3.328 -2.595 1.653) 4.532 7.682 ( -3.328 2.595 1.653) 4.532 7.925 ( 3.783 -3.428 -1.208) 5.246 7.925 ( 3.783 3.428 -1.208) 5.246 8.048 ( 0.597 -1.859 0.375) 1.988 8.048 ( 0.597 1.859 0.375) 1.988 8.381 ( -0.825 -2.355 0.335) 2.518 8.381 ( -0.825 2.355 0.335) 2.518 8.615 ( 4.521 -1.672 2.244) 5.317 8.615 ( 4.521 1.672 2.244) 5.317 8.670 ( -2.477 -2.239 -0.353) 3.358 8.670 ( -2.477 2.239 -0.353) 3.358 8.852 ( 2.953 -1.728 6.703) 7.526 8.852 ( 2.953 1.728 6.703) 7.526 8.995 ( -3.710 -2.861 -2.066) 5.121 8.995 ( -3.710 2.861 -2.066) 5.121 9.299 ( -0.140 -4.063 4.705) 6.218 9.299 ( -0.140 4.063 4.705) 6.218 9.430 ( -1.648 -2.193 -3.806) 4.691 9.430 ( -1.648 2.193 -3.806) 4.691 9.790 ( -0.517 -3.068 -0.697) 3.188 9.790 ( -0.517 3.068 -0.697) 3.188 10.181 ( 0.501 -1.220 0.244) 1.341 10.181 ( 0.501 1.220 0.244) 1.341 10.761 ( 1.634 -1.291 -1.733) 2.709 10.761 ( 1.634 1.291 -1.733) 2.709 11.014 ( -1.124 -1.372 0.353) 1.808 11.014 ( -1.124 1.372 0.353) 1.808 14.036 ( 0.319 -1.487 -0.492) 1.598 14.036 ( 0.319 1.487 -0.492) 1.598 14.137 ( 0.119 -1.221 0.979) 1.569 14.137 ( 0.119 1.221 0.979) 1.569 14.334 ( 1.683 -1.429 -0.966) 2.410 14.334 ( 1.683 1.429 -0.966) 2.410 14.364 ( -1.513 -1.903 1.078) 2.660 14.364 ( -1.513 1.903 1.078) 2.660 14.644 ( 0.472 -1.442 2.194) 2.667 14.644 ( 0.472 1.442 2.194) 2.667 14.850 ( -1.624 -2.612 -0.511) 3.118 14.850 ( -1.624 2.612 -0.511) 3.118 15.004 ( 1.261 -5.171 4.242) 6.806 15.004 ( 1.261 5.171 4.242) 6.806 15.159 ( -1.653 -3.263 -5.851) 6.900 15.159 ( -1.653 3.263 -5.851) 6.900 15.282 ( 2.073 -2.158 -0.830) 3.105 15.282 ( 2.073 2.158 -0.830) 3.105 15.419 ( -1.424 -0.860 -1.784) 2.440 15.419 ( -1.424 0.860 -1.784) 2.440 15.960 ( -0.371 -2.062 2.112) 2.975 15.960 ( -0.371 2.062 2.112) 2.975 16.116 ( -0.095 -1.518 -0.861) 1.748 16.116 ( -0.095 1.518 -0.861) 1.748 16.500 ( 5.728 -1.783 5.765) 8.320 16.500 ( 5.728 1.783 5.765) 8.320 16.672 ( -4.885 -4.712 -4.524) 8.157 16.672 ( -4.885 4.712 -4.524) 8.157 17.485 ( 1.126 -5.720 3.107) 6.607 17.485 ( 1.126 5.720 3.107) 6.607 17.576 ( 0.144 -4.996 -3.798) 6.277 17.576 ( 0.144 4.996 -3.798) 6.277 17.825 ( 1.142 -0.949 0.126) 1.490 17.825 ( 1.142 0.949 0.126) 1.490 18.032 ( -0.937 -0.294 0.107) 0.988 18.032 ( -0.937 0.294 0.107) 0.988 18.430 ( 0.041 -1.356 2.012) 2.427 18.430 ( 0.041 1.356 2.012) 2.427 18.655 ( -0.125 -0.577 -0.047) 0.592 18.655 ( -0.125 0.577 -0.047) 0.592 18.761 ( -0.860 -1.607 1.643) 2.454 18.761 ( -0.860 1.607 1.643) 2.454 19.245 ( -0.547 -1.106 0.807) 1.474 19.245 ( -0.547 1.106 0.807) 1.474 19.658 ( -2.151 -2.442 1.991) 3.815 19.658 ( -2.151 2.442 1.991) 3.815 19.752 ( 3.391 -1.368 -2.985) 4.720 19.752 ( 3.391 1.368 -2.985) 4.720 20.142 ( -0.553 -1.473 -0.057) 1.575 20.142 ( -0.553 1.473 -0.057) 1.575 20.623 ( 0.103 -1.129 -2.412) 2.665 20.623 ( 0.103 1.129 -2.412) 2.665 21.232 ( 2.572 -0.148 2.601) 3.660 21.232 ( 2.572 0.148 2.601) 3.660 21.385 ( -3.764 -0.322 -2.685) 4.635 21.385 ( -3.764 0.322 -2.685) 4.635 21.732 ( -0.570 -0.635 0.747) 1.134 21.732 ( -0.570 0.635 0.747) 1.134 21.804 ( 0.730 -0.900 -0.134) 1.167 21.804 ( 0.730 0.900 -0.134) 1.167 21.894 ( 0.668 -0.132 -0.474) 0.830 21.894 ( 0.668 0.132 -0.474) 0.830 22.129 ( -0.084 -0.129 -0.002) 0.155 22.129 ( -0.084 0.129 -0.002) 0.155 ======================= Grid point 111 (60/64) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -9.078 -5.926 4.938) 11.913 1.218 ( -9.078 5.926 4.938) 11.913 1.775 ( -0.897 -9.367 -5.305) 10.803 1.775 ( -0.897 9.367 -5.305) 10.803 1.968 ( -4.173 -2.858 4.777) 6.958 1.968 ( -4.173 2.858 4.777) 6.958 2.298 ( 0.370 -11.387 7.218) 13.487 2.298 ( 0.370 11.387 7.218) 13.487 2.379 ( 3.334 -2.309 1.617) 4.366 2.379 ( 3.334 2.309 1.617) 4.366 2.670 ( 6.984 -5.124 2.868) 9.125 2.670 ( 6.984 5.124 2.868) 9.125 2.851 ( -2.277 -5.893 -6.315) 8.932 2.851 ( -2.277 5.893 -6.315) 8.932 3.002 ( -4.221 -1.786 0.292) 4.592 3.002 ( -4.221 1.786 0.292) 4.592 3.091 ( -0.997 -6.678 5.845) 8.931 3.091 ( -0.997 6.678 5.845) 8.931 3.289 ( -1.663 -8.457 -0.141) 8.620 3.289 ( -1.663 8.457 -0.141) 8.620 3.506 ( -0.164 -0.400 3.438) 3.466 3.506 ( -0.164 0.400 3.438) 3.466 3.573 ( 1.707 -2.367 -5.555) 6.275 3.573 ( 1.707 2.367 -5.555) 6.275 3.658 ( 1.972 -5.086 -5.851) 8.000 3.658 ( 1.972 5.086 -5.851) 8.000 3.784 ( -1.205 -6.904 4.222) 8.182 3.784 ( -1.205 6.904 4.222) 8.182 3.926 ( 5.472 -3.165 -5.746) 8.542 3.926 ( 5.472 3.165 -5.746) 8.542 4.084 ( -1.227 -13.103 -4.136) 13.795 4.084 ( -1.227 13.103 -4.136) 13.795 4.228 ( -0.834 -3.095 1.983) 3.769 4.228 ( -0.834 3.095 1.983) 3.769 4.392 ( -1.696 -9.352 1.259) 9.587 4.392 ( -1.696 9.352 1.259) 9.587 4.494 ( 8.306 -6.462 -7.010) 12.644 4.494 ( 8.306 6.462 -7.010) 12.644 4.642 ( 1.336 -5.403 5.746) 8.000 4.642 ( 1.336 5.403 5.746) 8.000 4.881 ( -0.464 -7.316 9.627) 12.100 4.881 ( -0.464 7.316 9.627) 12.100 4.992 ( 4.768 -4.745 -6.379) 9.271 4.992 ( 4.768 4.745 -6.379) 9.271 5.331 ( 1.581 -3.480 -4.876) 6.195 5.331 ( 1.581 3.480 -4.876) 6.195 5.406 ( -2.441 -8.751 -2.968) 9.557 5.406 ( -2.441 8.751 -2.968) 9.557 5.514 ( -2.793 -3.854 8.202) 9.483 5.514 ( -2.793 3.854 8.202) 9.483 5.633 ( -3.698 -1.228 1.332) 4.118 5.633 ( -3.698 1.228 1.332) 4.118 5.833 ( 0.520 -5.320 -5.831) 7.910 5.833 ( 0.520 5.320 -5.831) 7.910 5.940 ( 3.794 -5.920 -2.103) 7.339 5.940 ( 3.794 5.920 -2.103) 7.339 6.074 ( 1.652 -2.551 0.402) 3.066 6.074 ( 1.652 2.551 0.402) 3.066 6.228 ( -4.731 -3.650 2.167) 6.356 6.228 ( -4.731 3.650 2.167) 6.356 6.421 ( -12.430 -8.439 -0.617) 15.037 6.421 ( -12.430 8.439 -0.617) 15.037 6.659 ( 6.232 -4.599 -1.963) 7.990 6.659 ( 6.232 4.599 -1.963) 7.990 6.755 ( -5.307 -10.805 -0.575) 12.051 6.755 ( -5.307 10.805 -0.575) 12.051 6.972 ( 0.602 -7.867 4.531) 9.098 6.972 ( 0.602 7.867 4.531) 9.098 7.225 ( -4.555 -5.901 -0.562) 7.476 7.225 ( -4.555 5.901 -0.562) 7.476 7.281 ( 0.485 -3.228 6.901) 7.634 7.281 ( 0.485 3.228 6.901) 7.634 7.452 ( 1.793 -1.862 3.843) 4.632 7.452 ( 1.793 1.862 3.843) 4.632 7.586 ( -3.077 -1.181 -2.341) 4.043 7.586 ( -3.077 1.181 -2.341) 4.043 7.805 ( 10.789 -4.498 -5.423) 12.886 7.805 ( 10.789 4.498 -5.423) 12.886 7.959 ( -4.189 -4.200 -1.763) 6.188 7.959 ( -4.189 4.200 -1.763) 6.188 8.023 ( 3.356 -7.261 -4.737) 9.296 8.023 ( 3.356 7.261 -4.737) 9.296 8.452 ( 3.379 -1.716 0.378) 3.808 8.452 ( 3.379 1.716 0.378) 3.808 8.556 ( -4.539 -1.905 -3.229) 5.887 8.556 ( -4.539 1.905 -3.229) 5.887 8.684 ( -2.144 -4.022 2.710) 5.303 8.684 ( -2.144 4.022 2.710) 5.303 8.844 ( -3.073 -2.838 0.253) 4.191 8.844 ( -3.073 2.838 0.253) 4.191 8.983 ( 1.042 -4.605 5.343) 7.130 8.983 ( 1.042 4.605 5.343) 7.130 9.313 ( 2.878 -4.237 -2.621) 5.753 9.313 ( 2.878 4.237 -2.621) 5.753 9.471 ( 5.608 -2.013 2.685) 6.536 9.471 ( 5.608 2.013 2.685) 6.536 9.825 ( 2.949 -8.054 1.425) 8.694 9.825 ( 2.949 8.054 1.425) 8.694 10.264 ( 6.440 -7.285 -0.144) 9.725 10.264 ( 6.440 7.285 -0.144) 9.725 10.749 ( -1.588 -0.400 -4.712) 4.988 10.749 ( -1.588 0.400 -4.712) 4.988 10.993 ( -1.341 -2.061 2.589) 3.571 10.993 ( -1.341 2.061 2.589) 3.571 14.004 ( -2.801 -0.811 -0.976) 3.075 14.004 ( -2.801 0.811 -0.976) 3.075 14.139 ( -0.191 -3.545 0.346) 3.567 14.139 ( -0.191 3.545 0.346) 3.567 14.261 ( -4.211 -2.510 -0.741) 4.958 14.261 ( -4.211 2.510 -0.741) 4.958 14.407 ( 1.602 -2.099 0.491) 2.686 14.407 ( 1.602 2.099 0.491) 2.686 14.639 ( -0.351 -2.061 1.000) 2.318 14.639 ( -0.351 2.061 1.000) 2.318 14.842 ( -0.714 -1.191 1.944) 2.389 14.842 ( -0.714 1.191 1.944) 2.389 15.069 ( 4.151 -6.548 3.373) 8.454 15.069 ( 4.151 6.548 3.373) 8.454 15.141 ( 1.076 -0.830 -3.348) 3.613 15.141 ( 1.076 0.830 -3.348) 3.613 15.299 ( -0.634 -1.059 -3.930) 4.120 15.299 ( -0.634 1.059 -3.930) 4.120 15.395 ( -0.089 -1.844 0.953) 2.078 15.395 ( -0.089 1.844 0.953) 2.078 15.899 ( -3.758 -3.219 0.899) 5.029 15.899 ( -3.758 3.219 0.899) 5.029 16.162 ( -0.117 -7.281 1.833) 7.509 16.162 ( -0.117 7.281 1.833) 7.509 16.425 ( -2.636 -6.015 -4.646) 8.045 16.425 ( -2.636 6.015 -4.646) 8.045 16.826 ( 11.439 -2.882 3.414) 12.280 16.826 ( 11.439 2.882 3.414) 12.280 17.370 ( -8.223 -8.080 -1.281) 11.599 17.370 ( -8.223 8.080 -1.281) 11.599 17.633 ( 2.133 -4.579 -1.699) 5.329 17.633 ( 2.133 4.579 -1.699) 5.329 17.853 ( 1.408 -1.662 -1.650) 2.732 17.853 ( 1.408 1.662 -1.650) 2.732 18.007 ( -1.883 -1.116 1.975) 2.948 18.007 ( -1.883 1.116 1.975) 2.948 18.417 ( -1.327 -0.976 1.975) 2.572 18.417 ( -1.327 0.976 1.975) 2.572 18.687 ( 2.470 -2.123 -0.688) 3.329 18.687 ( 2.470 2.123 -0.688) 3.329 18.753 ( 0.234 -3.807 2.921) 4.804 18.753 ( 0.234 3.807 2.921) 4.804 19.182 ( -5.238 -1.552 1.070) 5.567 19.182 ( -5.238 1.552 1.070) 5.567 19.578 ( -3.424 -3.245 -0.013) 4.717 19.578 ( -3.424 3.245 -0.013) 4.717 19.839 ( 2.544 -2.278 -2.714) 4.362 19.839 ( 2.544 2.278 -2.714) 4.362 20.131 ( 0.756 -3.723 0.730) 3.869 20.131 ( 0.756 3.723 0.730) 3.869 20.594 ( -2.787 -0.869 -1.555) 3.307 20.594 ( -2.787 0.869 -1.555) 3.307 21.192 ( -4.345 -3.000 -2.242) 5.736 21.192 ( -4.345 3.000 -2.242) 5.736 21.328 ( -2.681 -3.091 3.582) 5.438 21.328 ( -2.681 3.091 3.582) 5.438 21.746 ( 1.293 -1.658 1.999) 2.901 21.746 ( 1.293 1.658 1.999) 2.901 21.814 ( 0.161 -2.601 -0.986) 2.786 21.814 ( 0.161 2.601 -0.986) 2.786 21.902 ( 2.111 -0.939 -1.538) 2.776 21.902 ( 2.111 0.939 -1.538) 2.776 22.222 ( 6.445 -0.843 -0.221) 6.503 22.222 ( 6.445 0.843 -0.221) 6.503 ======================= Grid point 113 (61/64) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -7.717 -7.717 -7.117) 13.029 1.033 ( -7.717 7.717 -7.117) 13.029 1.753 ( -1.064 -3.213 -1.070) 3.549 1.753 ( -1.064 3.213 -1.070) 3.549 1.862 ( -3.965 -6.316 -1.693) 7.647 1.862 ( -3.965 6.316 -1.693) 7.647 2.226 ( -3.006 -8.332 4.268) 9.832 2.226 ( -3.006 8.332 4.268) 9.832 2.550 ( 3.898 -2.753 8.288) 9.564 2.550 ( 3.898 2.753 8.288) 9.564 2.682 ( -1.968 -6.239 0.031) 6.542 2.682 ( -1.968 6.239 0.031) 6.542 2.902 ( 5.037 -1.356 2.380) 5.734 2.902 ( 5.037 1.356 2.380) 5.734 2.935 ( 0.711 -5.827 4.859) 7.620 2.935 ( 0.711 5.827 4.859) 7.620 3.155 ( 2.613 -5.327 2.527) 6.449 3.155 ( 2.613 5.327 2.527) 6.449 3.224 ( -4.234 -7.658 -2.550) 9.115 3.224 ( -4.234 7.658 -2.550) 9.115 3.452 ( -4.445 -2.240 0.063) 4.978 3.452 ( -4.445 2.240 0.063) 4.978 3.562 ( 0.736 -4.283 -3.792) 5.767 3.562 ( 0.736 4.283 -3.792) 5.767 3.715 ( 2.388 -6.957 -1.206) 7.454 3.715 ( 2.388 6.957 -1.206) 7.454 3.829 ( 3.189 -7.013 1.963) 7.950 3.829 ( 3.189 7.013 1.963) 7.950 4.005 ( -4.138 -12.515 -1.581) 13.276 4.005 ( -4.138 12.515 -1.581) 13.276 4.031 ( 3.102 -7.377 -4.323) 9.095 4.031 ( 3.102 7.377 -4.323) 9.095 4.202 ( -0.271 -2.581 -2.958) 3.935 4.202 ( -0.271 2.581 -2.958) 3.935 4.407 ( 4.471 -11.948 1.708) 12.871 4.407 ( 4.471 11.948 1.708) 12.871 4.625 ( 1.541 -0.276 3.721) 4.037 4.625 ( 1.541 0.276 3.721) 4.037 4.754 ( 6.809 -5.384 -2.351) 8.993 4.754 ( 6.809 5.384 -2.351) 8.993 4.863 ( -0.071 -2.955 4.354) 5.262 4.863 ( -0.071 2.955 4.354) 5.262 5.077 ( 2.331 -4.249 -4.037) 6.307 5.077 ( 2.331 4.249 -4.037) 6.307 5.305 ( -1.896 -11.337 -3.954) 12.155 5.305 ( -1.896 11.337 -3.954) 12.155 5.339 ( -3.731 -6.961 -4.566) 9.123 5.339 ( -3.731 6.961 -4.566) 9.123 5.464 ( -2.500 -7.446 3.911) 8.774 5.464 ( -2.500 7.446 3.911) 8.774 5.588 ( -1.462 -4.895 -4.240) 6.639 5.588 ( -1.462 4.895 -4.240) 6.639 5.827 ( -1.619 -4.036 0.470) 4.374 5.827 ( -1.619 4.036 0.470) 4.374 5.951 ( -0.419 -2.463 -2.594) 3.601 5.951 ( -0.419 2.463 -2.594) 3.601 6.061 ( -2.815 -4.864 5.450) 7.829 6.061 ( -2.815 4.864 5.450) 7.829 6.210 ( 1.688 -1.682 2.302) 3.313 6.210 ( 1.688 1.682 2.302) 3.313 6.306 ( 3.954 -4.876 -4.873) 7.947 6.306 ( 3.954 4.876 -4.873) 7.947 6.616 ( -5.323 -6.326 -2.883) 8.756 6.616 ( -5.323 6.326 -2.883) 8.756 6.762 ( 0.235 -3.825 7.843) 8.729 6.762 ( 0.235 3.825 7.843) 8.729 6.987 ( 0.526 -4.702 6.102) 7.721 6.987 ( 0.526 4.702 6.102) 7.721 7.143 ( -4.821 -2.926 -3.779) 6.788 7.143 ( -4.821 2.926 -3.779) 6.788 7.290 ( 2.456 -3.767 -4.146) 6.116 7.290 ( 2.456 3.767 -4.146) 6.116 7.470 ( -1.318 -1.913 9.506) 9.785 7.470 ( -1.318 1.913 9.506) 9.785 7.565 ( 0.004 -4.717 5.086) 6.936 7.565 ( 0.004 4.717 5.086) 6.936 7.902 ( 2.429 -4.083 1.312) 4.928 7.902 ( 2.429 4.083 1.312) 4.928 8.033 ( 7.149 -2.678 -9.663) 12.315 8.033 ( 7.149 2.678 -9.663) 12.315 8.068 ( 2.484 -6.518 -3.962) 8.022 8.068 ( 2.484 6.518 -3.962) 8.022 8.356 ( -7.344 -2.022 -2.550) 8.033 8.356 ( -7.344 2.022 -2.550) 8.033 8.518 ( -1.760 -0.943 -3.121) 3.705 8.518 ( -1.760 0.943 -3.121) 3.705 8.565 ( -8.176 -8.950 1.859) 12.264 8.565 ( -8.176 8.950 1.859) 12.264 8.848 ( 3.078 -1.655 0.656) 3.555 8.848 ( 3.078 1.655 0.656) 3.555 8.984 ( -1.538 -4.256 4.482) 6.370 8.984 ( -1.538 4.256 4.482) 6.370 9.344 ( 0.519 -4.219 -3.654) 5.606 9.344 ( 0.519 4.219 -3.654) 5.606 9.694 ( 12.067 -3.104 1.539) 12.554 9.694 ( 12.067 3.104 1.539) 12.554 9.894 ( 3.627 -11.956 3.127) 12.880 9.894 ( 3.627 11.956 3.127) 12.880 10.364 ( 0.627 -5.118 -0.249) 5.162 10.364 ( 0.627 5.118 -0.249) 5.162 10.739 ( 2.986 -3.764 -4.907) 6.867 10.739 ( 2.986 3.764 -4.907) 6.867 10.950 ( -3.464 -4.553 3.308) 6.609 10.950 ( -3.464 4.553 3.308) 6.609 13.939 ( -2.739 -0.636 -0.961) 2.972 13.939 ( -2.739 0.636 -0.961) 2.972 14.123 ( -1.241 -4.802 -1.594) 5.209 14.123 ( -1.241 4.802 -1.594) 5.209 14.195 ( -1.719 -2.849 0.927) 3.455 14.195 ( -1.719 2.849 0.927) 3.455 14.426 ( 0.517 -1.146 0.494) 1.351 14.426 ( 0.517 1.146 0.494) 1.351 14.655 ( 1.600 -2.769 1.065) 3.371 14.655 ( 1.600 2.769 1.065) 3.371 14.798 ( -3.383 -1.369 1.050) 3.798 14.798 ( -3.383 1.369 1.050) 3.798 15.098 ( -0.591 -4.738 -3.859) 6.139 15.098 ( -0.591 4.738 -3.859) 6.139 15.240 ( 4.227 -1.307 4.515) 6.321 15.240 ( 4.227 1.307 4.515) 6.321 15.284 ( 1.848 -2.555 1.067) 3.329 15.284 ( 1.848 2.555 1.067) 3.329 15.413 ( 2.060 -3.047 -1.543) 3.988 15.413 ( 2.060 3.047 -1.543) 3.988 15.823 ( -3.830 -3.676 -1.994) 5.671 15.823 ( -3.830 3.676 -1.994) 5.671 16.055 ( -6.899 -1.155 0.603) 7.021 16.055 ( -6.899 1.155 0.603) 7.021 16.507 ( 8.013 -5.101 -1.907) 9.689 16.507 ( 8.013 5.101 -1.907) 9.689 17.016 ( 2.164 -5.555 2.104) 6.322 17.016 ( 2.164 5.555 2.104) 6.322 17.221 ( -1.906 -6.617 -0.767) 6.929 17.221 ( -1.906 6.617 -0.767) 6.929 17.632 ( -1.843 -3.367 -1.604) 4.160 17.632 ( -1.843 3.367 -1.604) 4.160 17.873 ( 0.406 -0.870 0.351) 1.022 17.873 ( 0.406 0.870 0.351) 1.022 17.956 ( -2.532 -1.187 0.785) 2.905 17.956 ( -2.532 1.187 0.785) 2.905 18.403 ( -0.078 -0.923 2.495) 2.661 18.403 ( -0.078 0.923 2.495) 2.661 18.703 ( -0.396 -1.263 -1.494) 1.996 18.703 ( -0.396 1.263 -1.494) 1.996 18.813 ( 4.124 -7.170 2.295) 8.584 18.813 ( 4.124 7.170 2.295) 8.584 19.059 ( -5.618 -3.220 -0.149) 6.477 19.059 ( -5.618 3.220 -0.149) 6.477 19.531 ( -1.112 -1.788 -0.464) 2.156 19.531 ( -1.112 1.788 -0.464) 2.156 19.826 ( -2.188 -2.332 -1.668) 3.607 19.826 ( -2.188 2.332 -1.668) 3.607 20.211 ( 6.060 -4.401 0.847) 7.538 20.211 ( 6.060 4.401 0.847) 7.538 20.500 ( -5.669 -2.551 -0.616) 6.247 20.500 ( -5.669 2.551 -0.616) 6.247 21.118 ( -2.409 -2.083 -0.999) 3.338 21.118 ( -2.409 2.083 -0.999) 3.338 21.264 ( -2.847 -2.431 1.439) 4.011 21.264 ( -2.847 2.431 1.439) 4.011 21.744 ( -0.957 -1.160 0.016) 1.504 21.744 ( -0.957 1.160 0.016) 1.504 21.864 ( 3.133 -0.826 2.569) 4.135 21.864 ( 3.133 0.826 2.569) 4.135 21.953 ( 2.305 -1.585 -2.471) 3.733 21.953 ( 2.305 1.585 -2.471) 3.733 22.336 ( 3.938 -0.767 -0.377) 4.030 22.336 ( 3.938 0.767 -0.377) 4.030 ======================= Grid point 115 (62/64) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -2.649 -4.874 -9.434) 10.944 0.900 ( -2.649 4.874 -9.434) 10.944 1.727 ( -0.300 -2.006 0.705) 2.148 1.727 ( -0.300 2.006 0.705) 2.148 1.830 ( 0.817 -3.265 -4.491) 5.612 1.830 ( 0.817 3.265 -4.491) 5.612 2.217 ( 0.662 -4.525 3.884) 6.000 2.217 ( 0.662 4.525 3.884) 6.000 2.521 ( -0.075 -1.406 0.028) 1.409 2.521 ( -0.075 1.406 0.028) 1.409 2.748 ( -0.049 -3.737 13.395) 13.907 2.748 ( -0.049 3.737 13.395) 13.907 2.942 ( -2.265 -2.937 5.782) 6.869 2.942 ( -2.265 2.937 5.782) 6.869 3.006 ( 4.665 -7.065 1.583) 8.613 3.006 ( 4.665 7.065 1.583) 8.613 3.120 ( -3.396 -6.761 -2.112) 7.855 3.120 ( -3.396 6.761 -2.111) 7.855 3.185 ( -1.353 -4.858 -0.119) 5.044 3.185 ( -1.353 4.858 -0.119) 5.044 3.382 ( 0.332 -4.585 -2.878) 5.423 3.382 ( 0.332 4.585 -2.878) 5.423 3.588 ( 0.829 -1.770 0.395) 1.995 3.588 ( 0.829 1.770 0.395) 1.995 3.740 ( -0.220 -6.536 -2.319) 6.938 3.740 ( -0.220 6.536 -2.319) 6.938 3.859 ( -0.618 -3.826 -0.689) 3.937 3.859 ( -0.618 3.826 -0.689) 3.937 3.955 ( 0.328 -2.629 1.680) 3.137 3.955 ( 0.328 2.629 1.680) 3.137 4.032 ( -0.893 -7.546 -2.300) 7.939 4.032 ( -0.893 7.546 -2.300) 7.939 4.217 ( 1.278 -0.635 -3.539) 3.816 4.217 ( 1.278 0.635 -3.539) 3.816 4.504 ( -4.228 -1.518 5.842) 7.369 4.504 ( -4.228 1.518 5.842) 7.369 4.627 ( 4.918 -6.551 4.137) 9.176 4.627 ( 4.918 6.551 4.137) 9.176 4.799 ( 0.296 -4.092 -1.141) 4.258 4.799 ( 0.296 4.092 -1.141) 4.258 4.906 ( -0.297 -0.465 -5.015) 5.045 4.906 ( -0.297 0.465 -5.015) 5.045 5.090 ( 0.450 -3.566 -3.299) 4.879 5.090 ( 0.450 3.566 -3.299) 4.879 5.249 ( -3.086 -2.263 -2.914) 4.810 5.249 ( -3.086 2.264 -2.914) 4.810 5.276 ( -0.538 -11.105 -2.566) 11.410 5.276 ( -0.538 11.105 -2.566) 11.410 5.450 ( 1.924 -8.377 -3.680) 9.350 5.450 ( 1.924 8.377 -3.680) 9.350 5.586 ( 1.741 -4.315 0.546) 4.685 5.586 ( 1.741 4.315 0.546) 4.685 5.747 ( -1.828 -1.270 -3.035) 3.764 5.747 ( -1.828 1.270 -3.035) 3.764 5.917 ( -1.583 -1.063 1.060) 2.181 5.917 ( -1.583 1.063 1.060) 2.181 6.148 ( 5.415 -7.605 6.013) 11.105 6.148 ( 5.415 7.605 6.013) 11.105 6.251 ( -0.791 -2.723 3.358) 4.395 6.251 ( -0.791 2.723 3.358) 4.395 6.397 ( 1.155 -4.436 -2.700) 5.320 6.397 ( 1.155 4.436 -2.700) 5.320 6.491 ( -1.129 -4.845 -9.066) 10.342 6.491 ( -1.129 4.845 -9.066) 10.342 6.755 ( -1.019 -4.210 10.696) 11.540 6.755 ( -1.019 4.210 10.696) 11.540 6.993 ( 0.255 -7.443 -12.697) 14.720 6.993 ( 0.255 7.443 -12.697) 14.720 7.100 ( 1.248 -5.237 15.239) 16.162 7.100 ( 1.248 5.237 15.239) 16.162 7.335 ( -0.722 -1.446 -6.695) 6.887 7.335 ( -0.722 1.446 -6.695) 6.887 7.456 ( 0.988 -0.746 5.798) 5.928 7.456 ( 0.988 0.746 5.798) 5.928 7.587 ( 1.783 -1.669 2.086) 3.212 7.587 ( 1.783 1.669 2.086) 3.212 7.982 ( 1.397 -4.784 7.952) 9.385 7.982 ( 1.397 4.784 7.952) 9.385 8.006 ( -4.902 -3.082 3.065) 6.551 8.006 ( -4.902 3.082 3.065) 6.551 8.118 ( 0.127 -4.865 -5.257) 7.164 8.118 ( 0.127 4.865 -5.257) 7.164 8.252 ( -2.685 -2.231 -10.716) 11.270 8.252 ( -2.685 2.231 -10.716) 11.270 8.428 ( -2.810 -5.171 2.293) 6.316 8.428 ( -2.810 5.171 2.293) 6.316 8.525 ( 4.756 -6.008 -5.325) 9.331 8.525 ( 4.756 6.008 -5.325) 9.331 8.871 ( -2.701 -2.090 5.237) 6.252 8.871 ( -2.701 2.090 5.237) 6.252 8.985 ( 2.173 -1.212 -0.368) 2.515 8.985 ( 2.173 1.212 -0.368) 2.515 9.345 ( 0.238 -3.528 -2.750) 4.480 9.345 ( 0.238 3.528 -2.750) 4.480 9.805 ( -1.878 -4.440 4.202) 6.395 9.805 ( -1.878 4.440 4.202) 6.395 10.022 ( 4.400 -2.647 -2.663) 5.784 10.022 ( 4.400 2.647 -2.663) 5.784 10.321 ( -0.288 -2.344 -2.082) 3.148 10.321 ( -0.288 2.344 -2.082) 3.148 10.770 ( -4.767 -4.549 3.250) 7.347 10.770 ( -4.767 4.549 3.250) 7.347 10.919 ( 3.386 -4.676 -1.459) 5.955 10.919 ( 3.386 4.676 -1.459) 5.955 13.902 ( -0.389 -0.309 -0.316) 0.589 13.902 ( -0.389 0.309 -0.316) 0.589 14.098 ( -0.532 -0.713 -1.127) 1.436 14.098 ( -0.532 0.713 -1.127) 1.436 14.185 ( 0.275 -0.563 0.760) 0.985 14.185 ( 0.275 0.563 0.760) 0.985 14.440 ( 0.893 -0.212 -0.603) 1.098 14.440 ( 0.893 0.212 -0.603) 1.098 14.703 ( 2.108 -2.488 1.811) 3.730 14.703 ( 2.108 2.488 1.811) 3.730 14.722 ( -2.980 -2.388 0.770) 3.895 14.722 ( -2.980 2.388 0.770) 3.895 15.070 ( -1.326 -2.001 -1.994) 3.120 15.070 ( -1.326 2.001 -1.994) 3.120 15.261 ( -0.220 -0.667 3.495) 3.565 15.261 ( -0.220 0.667 3.495) 3.565 15.348 ( 1.405 -0.759 -2.096) 2.635 15.348 ( 1.405 0.759 -2.096) 2.635 15.509 ( 5.127 -0.551 1.637) 5.410 15.509 ( 5.127 0.551 1.637) 5.410 15.712 ( -4.900 -1.446 -3.499) 6.192 15.712 ( -4.900 1.446 -3.499) 6.192 15.978 ( 0.218 -0.500 0.508) 0.745 15.978 ( 0.218 0.500 0.508) 0.745 16.635 ( 0.496 -0.930 0.072) 1.056 16.635 ( 0.496 0.930 0.072) 1.056 16.942 ( -1.363 -0.648 -0.948) 1.782 16.942 ( -1.363 0.648 -0.948) 1.782 17.280 ( 0.893 -2.274 2.144) 3.251 17.280 ( 0.893 2.274 2.144) 3.251 17.577 ( -1.528 -0.633 0.254) 1.673 17.577 ( -1.528 0.633 0.254) 1.673 17.850 ( -2.406 -0.466 4.754) 5.348 17.850 ( -2.406 0.466 4.754) 5.348 17.959 ( 2.945 -0.177 -4.728) 5.573 17.959 ( 2.945 0.177 -4.728) 5.573 18.413 ( 0.159 -1.464 2.416) 2.829 18.413 ( 0.159 1.464 2.416) 2.829 18.690 ( -0.302 -1.074 -1.305) 1.717 18.690 ( -0.302 1.074 -1.305) 1.717 18.883 ( 0.580 -4.930 1.536) 5.196 18.883 ( 0.580 4.930 1.536) 5.196 18.984 ( 0.221 -3.689 -1.585) 4.021 18.984 ( 0.221 3.689 -1.585) 4.021 19.521 ( 0.021 -0.761 -0.237) 0.797 19.521 ( 0.021 0.761 -0.237) 0.797 19.790 ( -0.449 -0.947 -0.806) 1.322 19.790 ( -0.449 0.947 -0.806) 1.322 20.329 ( -0.609 -4.352 3.334) 5.516 20.329 ( -0.609 4.352 3.334) 5.516 20.392 ( 0.883 -4.888 -3.070) 5.839 20.392 ( 0.883 4.888 -3.070) 5.839 21.089 ( -0.034 -0.535 -0.428) 0.686 21.089 ( -0.034 0.535 -0.428) 0.686 21.237 ( 0.179 -0.419 0.348) 0.574 21.237 ( 0.179 0.419 0.348) 0.574 21.729 ( -0.385 -0.173 0.135) 0.443 21.729 ( -0.385 0.173 0.135) 0.443 21.910 ( 0.474 -1.384 3.202) 3.520 21.910 ( 0.474 1.384 3.202) 3.520 21.974 ( -0.019 -1.578 -3.256) 3.618 21.974 ( -0.019 1.578 -3.256) 3.618 22.378 ( 0.040 -0.843 -0.381) 0.926 22.378 ( 0.040 0.843 -0.381) 0.926 ======================= Grid point 117 (63/64) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 7.923 -2.348 -0.134) 8.265 0.937 ( 7.923 2.348 -0.134) 8.265 1.698 ( -3.089 -8.248 2.084) 9.051 1.698 ( -3.089 8.248 2.084) 9.051 1.918 ( 7.775 -5.839 -4.196) 10.591 1.918 ( 7.775 5.839 -4.196) 10.591 2.240 ( 0.279 -4.490 2.970) 5.391 2.240 ( 0.279 4.490 2.970) 5.391 2.583 ( 0.687 -3.386 4.093) 5.356 2.583 ( 0.687 3.386 4.093) 5.356 2.695 ( -2.038 -6.125 3.550) 7.367 2.695 ( -2.038 6.125 3.550) 7.367 2.825 ( -5.894 -9.489 5.941) 12.652 2.825 ( -5.894 9.489 5.941) 12.652 3.031 ( -5.726 -4.705 0.553) 7.432 3.031 ( -5.726 4.705 0.553) 7.432 3.119 ( 3.443 -5.332 1.196) 6.459 3.119 ( 3.443 5.332 1.196) 6.459 3.203 ( 5.072 -8.494 -0.159) 9.894 3.203 ( 5.072 8.494 -0.159) 9.894 3.442 ( 3.934 -3.463 -1.587) 5.476 3.442 ( 3.934 3.463 -1.587) 5.476 3.570 ( -2.232 -1.581 -2.467) 3.683 3.570 ( -2.232 1.581 -2.467) 3.683 3.713 ( -1.278 -5.206 -1.490) 5.563 3.713 ( -1.278 5.206 -1.490) 5.563 3.864 ( 1.592 -3.218 0.955) 3.715 3.864 ( 1.592 3.218 0.955) 3.715 3.950 ( -4.275 -4.521 1.023) 6.306 3.950 ( -4.275 4.521 1.023) 6.306 3.984 ( -2.643 -1.530 -1.815) 3.552 3.984 ( -2.643 1.530 -1.815) 3.552 4.249 ( 3.245 -3.311 -4.735) 6.626 4.249 ( 3.245 3.311 -4.735) 6.626 4.366 ( -5.605 -8.090 6.571) 11.834 4.366 ( -5.605 8.090 6.571) 11.834 4.669 ( -4.018 -4.221 -3.372) 6.732 4.669 ( -4.018 4.221 -3.372) 6.732 4.808 ( -2.643 -1.142 5.750) 6.430 4.808 ( -2.643 1.142 5.750) 6.430 4.872 ( 0.741 -1.939 -6.504) 6.827 4.872 ( 0.741 1.939 -6.504) 6.827 5.048 ( -2.451 -6.261 -4.712) 8.210 5.048 ( -2.451 6.261 -4.712) 8.210 5.242 ( 3.084 -7.017 2.239) 7.985 5.242 ( 3.084 7.017 2.239) 7.985 5.287 ( 0.944 -3.872 1.266) 4.181 5.287 ( 0.944 3.872 1.266) 4.181 5.502 ( 2.056 -12.635 -4.172) 13.464 5.502 ( 2.056 12.635 -4.172) 13.464 5.595 ( 0.500 -1.111 1.484) 1.920 5.595 ( 0.500 1.111 1.484) 1.920 5.823 ( 5.435 -3.385 -0.329) 6.411 5.823 ( 5.435 3.385 -0.329) 6.411 5.939 ( 3.186 -2.952 -0.605) 4.385 5.939 ( 3.186 2.952 -0.605) 4.385 6.143 ( -3.966 -2.545 0.474) 4.736 6.143 ( -3.966 2.545 0.474) 4.736 6.209 ( -2.250 -1.719 3.757) 4.705 6.209 ( -2.250 1.719 3.757) 4.705 6.329 ( 1.467 -4.245 -11.718) 12.549 6.329 ( 1.467 4.245 -11.718) 12.549 6.604 ( 3.248 -4.310 -2.212) 5.832 6.604 ( 3.248 4.310 -2.212) 5.832 6.786 ( 4.205 -3.196 7.189) 8.921 6.786 ( 4.205 3.196 7.189) 8.921 7.012 ( -1.563 -3.369 -0.355) 3.731 7.012 ( -1.563 3.369 -0.355) 3.731 7.119 ( 1.123 -5.022 3.391) 6.163 7.119 ( 1.123 5.022 3.391) 6.163 7.281 ( -0.575 -2.123 -4.645) 5.139 7.281 ( -0.575 2.123 -4.645) 5.139 7.518 ( 1.371 -4.386 4.275) 6.276 7.518 ( 1.371 4.386 4.275) 6.276 7.652 ( 4.461 -7.332 -2.074) 8.830 7.652 ( 4.461 7.332 -2.074) 8.830 7.866 ( -7.061 -5.477 3.186) 9.487 7.866 ( -7.061 5.477 3.186) 9.487 7.960 ( -3.887 -4.179 1.203) 5.833 7.960 ( -3.887 4.179 1.203) 5.833 8.052 ( -5.250 -0.222 -5.420) 7.548 8.052 ( -5.250 0.222 -5.420) 7.548 8.270 ( 5.308 -4.107 5.038) 8.392 8.270 ( 5.308 4.107 5.038) 8.392 8.437 ( 2.366 -2.800 2.907) 4.679 8.437 ( 2.366 2.800 2.907) 4.679 8.666 ( 7.195 -6.742 -6.687) 11.914 8.666 ( 7.195 6.742 -6.687) 11.914 8.808 ( -3.005 -2.017 4.919) 6.107 8.808 ( -3.005 2.017 4.919) 6.107 9.028 ( 1.399 -3.543 -0.172) 3.813 9.028 ( 1.399 3.543 -0.172) 3.813 9.339 ( -0.741 -3.593 -2.418) 4.394 9.339 ( -0.741 3.593 -2.418) 4.394 9.686 ( -8.909 -5.583 2.264) 10.755 9.686 ( -8.909 5.583 2.264) 10.755 9.976 ( -4.724 -8.115 -4.941) 10.610 9.976 ( -4.724 8.115 -4.941) 10.610 10.378 ( 0.146 -6.787 -1.564) 6.966 10.378 ( 0.146 6.787 -1.564) 6.966 10.638 ( -3.719 -5.605 5.047) 8.410 10.638 ( -3.719 5.605 5.047) 8.410 11.002 ( 3.149 -6.065 -1.937) 7.103 11.002 ( 3.149 6.065 -1.937) 7.103 13.926 ( 2.547 -0.503 0.284) 2.611 13.926 ( 2.547 0.503 0.284) 2.611 14.101 ( 0.837 -3.186 0.264) 3.305 14.101 ( 0.837 3.186 0.264) 3.305 14.203 ( 1.373 -1.523 0.462) 2.102 14.203 ( 1.373 1.523 0.462) 2.102 14.453 ( 0.139 -1.207 -2.146) 2.466 14.453 ( 0.139 1.207 -2.146) 2.466 14.652 ( -2.535 -2.632 1.235) 3.858 14.652 ( -2.535 2.632 1.235) 3.858 14.785 ( 4.059 -3.232 2.620) 5.812 14.785 ( 4.059 3.232 2.620) 5.812 15.041 ( -1.418 -2.741 0.908) 3.217 15.041 ( -1.418 2.741 0.908) 3.217 15.249 ( -1.409 -1.805 2.446) 3.351 15.249 ( -1.409 1.805 2.446) 3.351 15.356 ( -0.882 -3.030 -4.629) 5.602 15.356 ( -0.882 3.030 -4.629) 5.602 15.469 ( -4.753 -0.812 -6.356) 7.978 15.469 ( -4.753 0.812 -6.356) 7.978 15.754 ( 6.218 -3.219 4.616) 8.387 15.754 ( 6.218 3.219 4.616) 8.387 16.052 ( 6.214 -2.349 0.773) 6.688 16.052 ( 6.214 2.349 0.773) 6.688 16.495 ( -10.084 -6.642 -0.445) 12.083 16.495 ( -10.084 6.642 -0.445) 12.083 17.019 ( 2.169 -6.036 1.352) 6.555 17.019 ( 2.169 6.036 1.352) 6.555 17.217 ( -2.043 -4.114 0.179) 4.597 17.217 ( -2.043 4.114 0.179) 4.597 17.600 ( 2.008 -5.325 1.573) 5.905 17.600 ( 2.008 5.325 1.573) 5.905 17.818 ( -1.175 -0.560 3.209) 3.463 17.818 ( -1.175 0.560 3.209) 3.463 18.021 ( 2.861 -1.251 -3.410) 4.624 18.021 ( 2.861 1.251 -3.410) 4.624 18.412 ( -0.430 -1.682 1.801) 2.501 18.412 ( -0.430 1.682 1.801) 2.501 18.690 ( 0.205 -0.419 -0.436) 0.638 18.690 ( 0.205 0.419 -0.436) 0.638 18.838 ( -3.220 -5.208 0.054) 6.123 18.838 ( -3.220 5.208 0.054) 6.123 19.068 ( 6.252 -6.991 -0.972) 9.429 19.068 ( 6.252 6.991 -0.972) 9.429 19.533 ( 1.438 -3.502 -0.646) 3.841 19.533 ( 1.438 3.502 -0.646) 3.841 19.801 ( 0.795 -0.694 0.677) 1.254 19.801 ( 0.795 0.694 0.677) 1.254 20.218 ( -5.393 -6.219 0.205) 8.234 20.218 ( -5.393 6.219 0.205) 8.234 20.507 ( 5.807 -3.297 -1.234) 6.791 20.507 ( 5.807 3.297 -1.234) 6.791 21.110 ( 1.637 -2.375 -0.138) 2.887 21.110 ( 1.637 2.375 -0.138) 2.887 21.279 ( 4.023 -1.673 -0.052) 4.357 21.279 ( 4.023 1.673 -0.052) 4.357 21.732 ( 0.728 -1.241 1.037) 1.774 21.732 ( 0.728 1.241 1.037) 1.774 21.893 ( -2.598 -1.752 1.425) 3.442 21.893 ( -2.598 1.752 1.425) 3.442 21.939 ( -2.570 -1.261 -2.603) 3.869 21.939 ( -2.570 1.261 -2.603) 3.869 22.336 ( -3.906 -1.381 -0.374) 4.160 22.336 ( -3.906 1.381 -0.374) 4.160 ======================= Grid point 119 (64/64) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 14.424 -6.888 5.821) 17.011 1.205 ( 14.424 6.888 5.821) 17.011 1.649 ( -1.038 -12.284 4.336) 13.068 1.649 ( -1.038 12.284 4.336) 13.068 2.060 ( 3.516 -9.752 6.081) 12.019 2.060 ( 3.516 9.752 6.081) 12.019 2.181 ( -5.253 -4.821 1.495) 7.285 2.181 ( -5.253 4.821 1.495) 7.285 2.443 ( -8.070 -3.959 0.980) 9.042 2.443 ( -8.070 3.959 0.980) 9.042 2.746 ( 2.571 -8.392 1.856) 8.971 2.746 ( 2.571 8.392 1.856) 8.971 2.850 ( 1.823 -5.961 3.980) 7.396 2.850 ( 1.823 5.961 3.980) 7.396 2.947 ( 0.747 -4.487 -8.107) 9.296 2.947 ( 0.747 4.487 -8.107) 9.296 3.165 ( 1.999 -4.192 -0.966) 4.743 3.165 ( 1.999 4.192 -0.966) 4.743 3.281 ( 1.148 -6.550 2.270) 7.027 3.281 ( 1.148 6.550 2.270) 7.027 3.516 ( -0.573 -1.526 -0.770) 1.803 3.516 ( -0.573 1.526 -0.770) 1.803 3.546 ( 4.733 -2.263 -2.163) 5.674 3.546 ( 4.733 2.263 -2.163) 5.674 3.644 ( -6.110 -6.186 -0.112) 8.696 3.644 ( -6.110 6.186 -0.112) 8.696 3.807 ( -3.309 -3.848 -0.869) 5.149 3.807 ( -3.309 3.848 -0.869) 5.149 3.925 ( -0.876 -4.315 -5.791) 7.275 3.925 ( -0.876 4.315 -5.791) 7.275 3.966 ( 3.825 -4.984 4.295) 7.610 3.966 ( 3.825 4.984 4.295) 7.610 4.276 ( -3.415 -8.732 2.909) 9.817 4.276 ( -3.415 8.732 2.909) 9.817 4.336 ( 1.484 -3.326 0.396) 3.664 4.336 ( 1.484 3.326 0.396) 3.664 4.547 ( -3.433 -8.260 -7.879) 11.920 4.547 ( -3.433 8.260 -7.879) 11.920 4.739 ( -4.658 -2.398 9.785) 11.099 4.739 ( -4.658 2.398 9.785) 11.099 4.801 ( -4.125 -7.156 -4.962) 9.636 4.801 ( -4.125 7.156 -4.962) 9.636 5.046 ( 0.559 -3.102 -4.782) 5.727 5.046 ( 0.559 3.102 -4.782) 5.727 5.291 ( 0.414 -3.254 -1.074) 3.452 5.291 ( 0.414 3.254 -1.074) 3.452 5.350 ( 4.006 -5.253 6.094) 8.988 5.350 ( 4.006 5.253 6.094) 8.988 5.516 ( 1.087 -8.110 2.665) 8.606 5.516 ( 1.087 8.110 2.665) 8.606 5.638 ( 2.247 -3.976 0.532) 4.598 5.638 ( 2.247 3.976 0.532) 4.598 5.820 ( -1.652 -3.868 -0.473) 4.232 5.820 ( -1.652 3.868 -0.473) 4.232 5.980 ( -4.068 -5.113 -6.145) 8.970 5.980 ( -4.068 5.113 -6.145) 8.970 6.131 ( -1.019 -2.355 -5.235) 5.830 6.131 ( -1.019 2.355 -5.235) 5.830 6.214 ( 9.226 -3.184 3.283) 10.297 6.214 ( 9.226 3.184 3.283) 10.297 6.474 ( 7.955 -1.843 -5.740) 9.981 6.474 ( 7.955 1.843 -5.740) 9.981 6.566 ( -3.769 -5.985 4.715) 8.501 6.566 ( -3.769 5.985 4.715) 8.501 6.871 ( 1.847 -7.237 -5.915) 9.528 6.871 ( 1.847 7.237 -5.915) 9.528 6.962 ( -0.182 -6.024 3.976) 7.220 6.962 ( -0.182 6.024 3.976) 7.220 7.177 ( 1.680 -2.120 2.695) 3.818 7.177 ( 1.680 2.120 2.695) 3.818 7.299 ( 2.613 -0.649 -1.205) 2.950 7.299 ( 2.613 0.649 -1.205) 2.950 7.513 ( -2.184 -2.956 3.889) 5.351 7.513 ( -2.184 2.956 3.889) 5.351 7.655 ( -3.937 -5.263 -8.329) 10.610 7.655 ( -3.937 5.263 -8.329) 10.610 7.769 ( -3.867 -0.893 -1.845) 4.377 7.769 ( -3.867 0.893 -1.845) 4.377 7.898 ( -1.006 -5.151 5.216) 7.399 7.898 ( -1.006 5.151 5.216) 7.399 7.986 ( 1.555 -2.077 -3.834) 4.630 7.986 ( 1.555 2.077 -3.834) 4.630 8.391 ( 3.135 -4.697 6.696) 8.759 8.391 ( 3.135 4.697 6.696) 8.759 8.502 ( 3.364 -2.851 1.879) 4.793 8.502 ( 3.364 2.851 1.879) 4.793 8.730 ( -0.631 -3.592 -1.984) 4.152 8.730 ( -0.631 3.592 -1.984) 4.152 8.787 ( 0.310 -1.771 6.123) 6.381 8.787 ( 0.310 1.771 6.123) 6.381 9.049 ( 0.289 -4.725 -1.736) 5.042 9.049 ( 0.289 4.725 -1.736) 5.042 9.296 ( -1.920 -4.386 -0.696) 4.838 9.296 ( -1.920 4.386 -0.696) 4.838 9.523 ( -5.594 -1.862 -1.691) 6.134 9.523 ( -5.594 1.862 -1.691) 6.134 9.861 ( -5.238 -3.219 -2.712) 6.720 9.861 ( -5.238 3.219 -2.712) 6.720 10.255 ( -7.250 -7.484 1.283) 10.499 10.255 ( -7.250 7.484 1.283) 10.499 10.690 ( 4.610 -2.159 0.986) 5.184 10.690 ( 4.610 2.159 0.986) 5.184 11.031 ( 0.036 -3.705 -1.287) 3.922 11.031 ( 0.036 3.705 -1.287) 3.922 13.994 ( 3.273 -1.706 0.029) 3.691 13.994 ( 3.273 1.706 0.029) 3.691 14.125 ( 0.984 -4.314 1.165) 4.576 14.125 ( 0.984 4.314 1.165) 4.576 14.252 ( 3.435 -2.221 0.933) 4.195 14.252 ( 3.435 2.221 0.933) 4.195 14.426 ( -2.372 -2.303 -1.674) 3.706 14.426 ( -2.372 2.303 -1.674) 3.706 14.627 ( -0.035 -2.741 1.978) 3.380 14.627 ( -0.035 2.741 1.978) 3.380 14.864 ( 2.171 -3.608 0.419) 4.231 14.864 ( 2.171 3.608 0.419) 4.231 15.005 ( -2.124 -5.767 3.373) 7.011 15.005 ( -2.124 5.767 3.373) 7.011 15.220 ( -2.067 -4.135 -0.807) 4.693 15.220 ( -2.067 4.135 -0.807) 4.693 15.270 ( -2.568 -4.972 -5.430) 7.798 15.270 ( -2.568 4.972 -5.430) 7.798 15.435 ( 0.339 -1.888 -3.336) 3.848 15.435 ( 0.339 1.888 -3.336) 3.848 15.885 ( 5.315 -2.372 2.617) 6.382 15.885 ( 5.315 2.372 2.617) 6.382 16.180 ( 0.668 -7.345 0.250) 7.380 16.180 ( 0.668 7.345 0.250) 7.380 16.338 ( 0.549 -1.937 3.160) 3.746 16.338 ( 0.549 1.937 3.160) 3.746 16.883 ( -10.654 -2.375 -1.845) 11.070 16.883 ( -10.654 2.375 -1.845) 11.070 17.337 ( 8.889 -10.473 1.731) 13.845 17.337 ( 8.889 10.473 1.731) 13.845 17.618 ( -0.858 -6.237 -0.178) 6.299 17.618 ( -0.858 6.237 -0.178) 6.299 17.811 ( -0.012 -0.335 2.059) 2.086 17.811 ( -0.012 0.335 2.059) 2.086 18.047 ( 0.017 -1.171 -1.623) 2.001 18.047 ( 0.017 1.171 -1.623) 2.001 18.415 ( 0.561 -1.990 2.045) 2.908 18.415 ( 0.561 1.990 2.045) 2.908 18.679 ( -1.325 -1.078 -0.300) 1.734 18.679 ( -1.325 1.078 -0.300) 1.734 18.783 ( -1.714 -2.791 0.354) 3.294 18.783 ( -1.714 2.791 0.354) 3.294 19.196 ( 4.956 -4.140 -0.167) 6.460 19.196 ( 4.956 4.140 -0.167) 6.460 19.590 ( 4.329 -5.075 -1.155) 6.769 19.590 ( 4.329 5.075 -1.155) 6.769 19.789 ( -2.636 -2.092 1.724) 3.782 19.789 ( -2.636 2.092 1.724) 3.782 20.149 ( -0.954 -5.866 -0.843) 6.003 20.149 ( -0.954 5.866 -0.843) 6.003 20.598 ( 2.890 -1.681 -1.939) 3.865 20.598 ( 2.890 1.681 -1.939) 3.865 21.155 ( 2.913 -3.011 1.598) 4.484 21.155 ( 2.913 3.011 1.598) 4.484 21.385 ( 4.632 -2.851 -2.032) 5.807 21.385 ( 4.632 2.851 -2.032) 5.807 21.758 ( 0.426 -2.113 1.171) 2.453 21.758 ( 0.426 2.113 1.171) 2.453 21.812 ( -3.308 -2.142 -0.988) 4.062 21.812 ( -3.308 2.142 -0.988) 4.062 21.886 ( -1.516 -0.960 -0.201) 1.806 21.886 ( -1.516 0.960 -0.201) 1.806 22.222 ( -6.340 -1.381 -0.205) 6.492 22.222 ( -6.340 1.381 -0.205) 6.492 =================== 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 3/30240 10.0 319.250 208.521 339.618 0.000 117.093 0.000 3/30240 20.0 59.613 35.097 73.031 0.000 20.218 0.000 3/30240 30.0 23.028 14.009 29.566 0.000 7.291 0.000 3/30240 40.0 12.640 8.017 16.589 0.000 3.786 0.000 3/30240 50.0 8.326 5.486 11.070 0.000 2.375 0.000 3/30240 60.0 6.099 4.153 8.184 0.000 1.666 0.000 3/30240 70.0 4.783 3.347 6.462 0.000 1.256 0.000 3/30240 80.0 3.930 2.813 5.336 0.000 0.996 0.000 3/30240 90.0 3.337 2.433 4.549 0.000 0.820 0.000 3/30240 100.0 2.904 2.149 3.970 0.000 0.694 0.000 3/30240 110.0 2.574 1.928 3.526 0.000 0.600 0.000 3/30240 120.0 2.315 1.751 3.175 0.000 0.528 0.000 3/30240 130.0 2.106 1.605 2.889 0.000 0.472 0.000 3/30240 140.0 1.934 1.483 2.653 0.000 0.426 0.000 3/30240 150.0 1.790 1.380 2.454 0.000 0.388 0.000 3/30240 160.0 1.667 1.290 2.284 0.000 0.357 0.000 3/30240 170.0 1.562 1.212 2.137 0.000 0.330 0.000 3/30240 180.0 1.469 1.143 2.008 0.000 0.307 0.000 3/30240 190.0 1.388 1.082 1.894 0.000 0.287 0.000 3/30240 200.0 1.317 1.028 1.794 0.000 0.270 0.000 3/30240 210.0 1.252 0.979 1.703 0.000 0.255 0.000 3/30240 220.0 1.195 0.935 1.622 0.000 0.241 0.000 3/30240 230.0 1.142 0.894 1.548 0.000 0.229 0.000 3/30240 240.0 1.095 0.857 1.481 0.000 0.218 0.000 3/30240 250.0 1.051 0.823 1.420 0.000 0.208 0.000 3/30240 260.0 1.011 0.792 1.363 0.000 0.199 0.000 3/30240 270.0 0.974 0.763 1.312 0.000 0.190 0.000 3/30240 280.0 0.940 0.736 1.264 0.000 0.183 0.000 3/30240 290.0 0.908 0.712 1.219 0.000 0.176 0.000 3/30240 300.0 0.879 0.688 1.178 0.000 0.169 0.000 3/30240 310.0 0.851 0.667 1.139 0.000 0.163 0.000 3/30240 320.0 0.825 0.646 1.103 0.000 0.158 0.000 3/30240 330.0 0.801 0.627 1.069 0.000 0.152 0.000 3/30240 340.0 0.778 0.609 1.037 0.000 0.147 0.000 3/30240 350.0 0.757 0.592 1.007 0.000 0.143 0.000 3/30240 360.0 0.736 0.576 0.979 0.000 0.139 0.000 3/30240 370.0 0.717 0.561 0.952 0.000 0.135 0.000 3/30240 380.0 0.699 0.546 0.927 0.000 0.131 0.000 3/30240 390.0 0.681 0.532 0.903 0.000 0.127 0.000 3/30240 400.0 0.665 0.519 0.880 0.000 0.124 0.000 3/30240 410.0 0.649 0.507 0.859 0.000 0.121 0.000 3/30240 420.0 0.634 0.495 0.838 0.000 0.118 0.000 3/30240 430.0 0.620 0.484 0.819 0.000 0.115 0.000 3/30240 440.0 0.606 0.473 0.800 0.000 0.112 0.000 3/30240 450.0 0.593 0.463 0.782 0.000 0.109 0.000 3/30240 460.0 0.581 0.453 0.765 0.000 0.107 0.000 3/30240 470.0 0.569 0.443 0.749 0.000 0.104 0.000 3/30240 480.0 0.557 0.434 0.733 0.000 0.102 0.000 3/30240 490.0 0.546 0.426 0.718 0.000 0.100 0.000 3/30240 500.0 0.535 0.417 0.704 0.000 0.098 0.000 3/30240 510.0 0.525 0.409 0.690 0.000 0.096 0.000 3/30240 520.0 0.515 0.401 0.677 0.000 0.094 0.000 3/30240 530.0 0.506 0.394 0.664 0.000 0.092 0.000 3/30240 540.0 0.497 0.387 0.651 0.000 0.090 0.000 3/30240 550.0 0.488 0.380 0.640 0.000 0.089 0.000 3/30240 560.0 0.479 0.373 0.628 0.000 0.087 0.000 3/30240 570.0 0.471 0.367 0.617 0.000 0.085 0.000 3/30240 580.0 0.463 0.361 0.606 0.000 0.084 0.000 3/30240 590.0 0.456 0.355 0.596 0.000 0.082 0.000 3/30240 600.0 0.448 0.349 0.586 0.000 0.081 0.000 3/30240 610.0 0.441 0.343 0.577 0.000 0.080 0.000 3/30240 620.0 0.434 0.338 0.567 0.000 0.078 0.000 3/30240 630.0 0.427 0.332 0.558 0.000 0.077 0.000 3/30240 640.0 0.421 0.327 0.550 0.000 0.076 0.000 3/30240 650.0 0.414 0.322 0.541 0.000 0.075 0.000 3/30240 660.0 0.408 0.317 0.533 0.000 0.073 0.000 3/30240 670.0 0.402 0.313 0.525 0.000 0.072 0.000 3/30240 680.0 0.396 0.308 0.517 0.000 0.071 0.000 3/30240 690.0 0.391 0.304 0.510 0.000 0.070 0.000 3/30240 700.0 0.385 0.299 0.503 0.000 0.069 0.000 3/30240 710.0 0.380 0.295 0.495 0.000 0.068 0.000 3/30240 720.0 0.375 0.291 0.489 0.000 0.067 0.000 3/30240 730.0 0.370 0.287 0.482 0.000 0.066 0.000 3/30240 740.0 0.365 0.283 0.475 0.000 0.065 0.000 3/30240 750.0 0.360 0.280 0.469 0.000 0.064 0.000 3/30240 760.0 0.355 0.276 0.463 0.000 0.064 0.000 3/30240 770.0 0.351 0.273 0.457 0.000 0.063 0.000 3/30240 780.0 0.346 0.269 0.451 0.000 0.062 0.000 3/30240 790.0 0.342 0.266 0.445 0.000 0.061 0.000 3/30240 800.0 0.338 0.262 0.440 0.000 0.060 0.000 3/30240 810.0 0.334 0.259 0.434 0.000 0.060 0.000 3/30240 820.0 0.330 0.256 0.429 0.000 0.059 0.000 3/30240 830.0 0.326 0.253 0.424 0.000 0.058 0.000 3/30240 840.0 0.322 0.250 0.419 0.000 0.057 0.000 3/30240 850.0 0.318 0.247 0.414 0.000 0.057 0.000 3/30240 860.0 0.315 0.244 0.409 0.000 0.056 0.000 3/30240 870.0 0.311 0.241 0.404 0.000 0.055 0.000 3/30240 880.0 0.308 0.239 0.400 0.000 0.055 0.000 3/30240 890.0 0.304 0.236 0.395 0.000 0.054 0.000 3/30240 900.0 0.301 0.233 0.391 0.000 0.054 0.000 3/30240 910.0 0.298 0.231 0.387 0.000 0.053 0.000 3/30240 920.0 0.294 0.228 0.382 0.000 0.052 0.000 3/30240 930.0 0.291 0.226 0.378 0.000 0.052 0.000 3/30240 940.0 0.288 0.224 0.374 0.000 0.051 0.000 3/30240 950.0 0.285 0.221 0.370 0.000 0.051 0.000 3/30240 960.0 0.282 0.219 0.367 0.000 0.050 0.000 3/30240 970.0 0.279 0.217 0.363 0.000 0.050 0.000 3/30240 980.0 0.277 0.215 0.359 0.000 0.049 0.000 3/30240 990.0 0.274 0.212 0.355 0.000 0.049 0.000 3/30240 1000.0 0.271 0.210 0.352 0.000 0.048 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m665.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:08:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|