[Pw_forum] Does anyone have RRKJ uspp for Cr?
Nicola Marzari
marzari at MIT.EDU
Tue Mar 27 09:32:12 CEST 2007
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
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu
More information about the users
mailing list