[Pw_forum] CP question

aaron at nemo.physics.ncsu.edu aaron at nemo.physics.ncsu.edu
Sat Jul 10 16:32:10 CEST 2004

Great!  Thanks.

On Sat, 10 Jul 2004, Paolo Giannozzi wrote:

> On Friday 09 July 2004 16:48, aaron at nemo.physics.ncsu.edu wrote:
> > Can I ask if there is any avenue of interoptibility between the
> > CP code and the nice postprocessing (PP) geared toward pw.x?
> of course there is. In principle it is possible to use the postprocessing 
> from PWscf with data files produced by CP or FPMD: the file format 
> is quite the same and the ordering of plane waves and G-vectors is 
> also the same. Moving from principles to practice requires action,
> though: unless somebody starts to use this possibility and to report
> success or failure or, better, to fix what doesn't work and to add what
> is missing, very little will happen. I think that all postprocessing not
> involving wavefunctions, or involving wavefunctions and implemented 
> for the k=0 (Gamma) case, should work right now or with minimal action.
> Paolo

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