[CPMD-list] problems with surface

[Ari.P.Seitsonen at iki.fi]

Dear Arvi,

> Is it possible to use two different type of psuedopotentials in one
> calculation. I mean, I want to calculate, the adsorption of
> CH2=cH-Cl over bimetallic surface. Is it possible to use, Goedecker
> type pseudopotentials as well as TM type PP in the input CPMD file?
> What modification i hvae to do? Is there any difference in the
> energy values?

Yes, it is possible to have an arbitrary combination of pseudo
potential types. There is no modification necessary, you just specify
the pseudo potentials like you would do if they were used in separate
jobs.

    Greetings,

       apsi

-- 
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 Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
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