[Pw_forum] the code for pwscf to castep

Paolo Giannozzi giannozz at democritos.it
Sat Apr 24 16:22:51 CEST 2010

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  
for C and O and the resulting CO molecule was looking good, i.e.,  
similar to
what one obtains with other pseudopotentials

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

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