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

Matic Poberznik matic.poberznik at gmail.com
Tue Feb 6 10:06:47 CET 2018

Dear Dan,

>  &PLOT
>                        nfile = 1 ,
>                    weight(1) = 1.0,
>  /
> -----
See the output_format keyword from the &PLOT namelist:


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 Poberznik
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia

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