[Pw_forum] Format of .pp postprocessing file

[Lorenzo Paulatto]

On 14 November 2012 17:48, Johannes Moeller <j.moeller1 at physics.ox.ac.uk>wrote:

> 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.
>
> It is indeed column-major.
Please note that even if the intermediate pp format is not really
documented, the second stage of pp.x can produce output formats that are
more or less documented: gOpenMol files, gaussian Cube files and xcrysden
xsf files.

bests




-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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