[Pw_forum] Abinit Pseudopotentials

[Katalin Gaal-Nagy]

Hi all,

some tips besides.
I was working with a FHI pseudopotentails for Si which I was using with a
version of the CP code and some FHI pseodopotentials for Si from the
ABINIT side. It turned out, that "our" FHI pseudopotential is following
exactly the exponential grid for the radial values whereas some FHI
pseudopotentials for Si (I didn't check all pseudopotentials from the
ABINIT homepage ...) do not exactly follow this grid. In my case it was the
source of errors.

Maybe it can help someone.

Best wishes,
Katalin


P.S: There was someone time ago who mentioned some tricks for converting
FHI pseudopotentials from the ABINIT side. Maybe he/she can explain it to
this comunity.