ABINIT Discussion Forums

Hello, I'm doing a calculation to find convergence of the parameter acell for a graphene sheet, that pseudopotential should I use?

Hi!

Since you have about a zillion reference to compare to , the best way would be to test several pseudopotentials, available at the abinit web site, and see which one agrees the best (with those references) concerning the property you are interested in.

Best regards,

Igor

Ok, thanks for the reply. Noting the pseudopotentials for C, there are two: C.psp8 and C-gw.psp8, what is the difference between them?

Just look at the pseudo potential parameters and you will know the differences in its construction.
LUCA

ok, thanks