[CPMD-list] Re: Oxygen

[Natasa Mateljevic]

Hi Juerg,
I am trying to use Vanderbilt PPs and I have downloaded them form the 
Vanderbilt webpage, but I am not sure what is the best choice for Oxygen 
impacting graphite surface, as well as for carbon. Also I am not sure how 
to specify these in CPMD run, and then what would be the lowest cutoff I 
could get away with with these PPs.
thanks,
Natasa