[Pw_forum] How to use pp.x and xcrysden to plot 3d charge density

[Dan Gil]

Thank you very much! I was able to generate plots.

Dan

On Tue, Feb 6, 2018 at 4:06 AM, Matic Poberznik <matic.poberznik at gmail.com>
wrote:

> Dear Dan,
>
> >  &PLOT
> >                        nfile = 1 ,
> >                    weight(1) = 1.0,
> >  /
> > -----
> >
> See the output_format keyword from the &PLOT namelist:
>
> http://www.quantum-espresso.org/wp-content/uploads/Doc/
> INPUT_PP.html#idm115
>
> what you are looking for is: output_format = 3 or output_format = 5 and
>  fileout = 'your.xsf';
>
> also note that the file can be rewritten in the desired format  from the
> pp generated file with pp.x using the inputpp keyword (inputpp='out' in
> your case  because of the name you originally specified for the
> "filplot" keyword).
>
> Best Regards,
>
> Matic
> --
> Matic Poberznik
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
>
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