[Pw_forum] the code for pwscf to castep

[Paolo Giannozzi]

On Mar 9, 2010, at 15:11 , Wei Zhou wrote:

> -- http://www2.tcm.phy.cam.ac.uk/onetep/Main/Utilities
> there are a code which can translate the castep pseudo potential to  
> pwscf ,
> however I found the effect does not good [...] if somebody have  
> interests
> about it ,he can inverstigate the source code and change it to more  
> accurate.

Statements like "I will do" are much more welcome than statements like
"please someone do". Anyway: I made a quick test with two  
pseudopotentials
for C and O and the resulting CO molecule was looking good, i.e.,  
similar to
what one obtains with other pseudopotentials

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222