[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:
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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