Dear Abinit users,
Looking through Optic tutorial, in the input file toptic_1.in I found the variable tnons = 72*0.
I was trying to figure out the physical meaning of this parameter but still I'm a bit confused. So, could anyone explain the meaning of it in a simplified manner? Should it always be 72*0 in response calculations? Why 72?
Thank you!
tnons parameter in RF calculation (Optic)
Moderators: mverstra, joaocarloscabreu
Re: tnons parameter in RF calculation (Optic)
Dear Maksim,
tnons gives the translation vector for each operation symmetry, i.e. they are all zero for symmorphic space groups. I would say to always let Abinit define it by default unless you want to trick something (I've never defined it in my input files so far...).
Best wishes,
Eric
tnons gives the translation vector for each operation symmetry, i.e. they are all zero for symmorphic space groups. I would say to always let Abinit define it by default unless you want to trick something (I've never defined it in my input files so far...).
Best wishes,
Eric