[Pw_forum] Does anyone have RRKJ uspp for Cr?

Chao Cao cao at qtp.ufl.edu
Tue Mar 27 20:05:27 CEST 2007

Thanks for both reply from Nicola and Degironc. However, I am not quite 
confident in mixing Vanderbilt pp with RRKJ pp (is it justifiable?). I'm 
going to try the rho0 thing, and if it doesn't work out I'll probably 
just use Vanderbilt pp instead. Thanks again for both suggestions.


Chao Cao
Nicola Marzari wrote:
> Another possibility is to generate a Cr using David Vanderbilt
> code: http://www.physics.rutgers.edu/~dhv/uspp/ , and then convert it
> to UPF format.
> There is an input file there for a PW91 Cr that looks good.
>                 nicola
> ---------------------------------------------------------------------
> Prof Nicola Marzari   Department of Materials Science and Engineering
> 13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
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