[Pw_forum] Format of .pp postprocessing file

Johannes Moeller j.moeller1 at physics.ox.ac.uk
Wed Nov 14 17:48:29 CET 2012


Dear Guido, 

Thanks very much for your reply. Just to add, it looks like the .pp file format has the same ordering as the xcrysden.xsf format which is column-major (http://www.xcrysden.org/doc/XSF.html) i.e. the outermost loop runs fastest, as one might expect for a Fortran program. 

Best wishes,
Johannes

On 14 Nov 2012, at 12:29, Guido Fratesi wrote:

> Dear Johannes,
> 
>> I'm also guessing that the innermost index runs fastest, i.e. if pp.x was written in C it would do something like this
> 
> The relevant routine is flib/plot_io.f90: you will find the WRITE statements there. And it is written in fortran (90).
> 
> HTH
> Guido
> 
> -- 
> Guido Fratesi
> 
> Dipartimento di Scienza dei Materiali
> Universita` degli Studi di Milano-Bicocca
> via Cozzi 53, 20125 Milano, Italy





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