[ase-users] bug report / suggestion ASE

[Kurt Lejaeghere]

Dear ASE mailing list users

I use ASE in combination with VASP and have encountered the following issue:

When using a calculation in restart-mode, all parameters were copied  
from the original files, except one: setups (which determines what  
POTCAR file to use). For the moment the standard extension '' is used  
(so e.g. Mo/POTCAR even if Mo_pv/POTCAR was used in the original  
calculation).

Is it possible to fix this problem?

Kind regards

Kurt Lejaeghere
Ghent University
Belgium