[Pw_forum] charge-density file

[Paolo Giannozzi]

On Oct 2, 2008, at 17:48 , alan chen wrote:

>  When I compile PWSCF on different machines, I find that on some  
> machines, the charge density file has the suffix .xml (like charge- 
> density.xml). On other machines, the file has the suffix .dat (like  
> charge-density.dat). Does that have anything to do with my  
> compilations?

no, but it has to do with the version you are compiling. The suffix  
change was
made some time ago in order to have a more uniform naming convention

> Since in my old calculation they are all .xml format, I do want the  
> new version of PWSCF to generate charge-density.xml rather than  
> charge-density.dat. How can I control that?

you have to change the code, if you really want to

Paolo
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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