[Pw_forum] problem with charge density with xcrysden

[Gabriele Sclauzero]

Dear Dev,

dev sharma wrote:
> hi 2 all,
>  I am trying to plot the charge density with the XCrysden, but when i am 
> opening's XSF(file--> open structure--> open XSF(xcryden structure 
> file)) file , generated by my calculations, it is showing the structure 
> of my system. And i am not getting the   option tools--> DATA GRID as 
> ready. Please help or advice ?? Thankful to all of you. What i did is 
> listed below.

Have you had a look inside your .xsf file? How does it look? Does it actually contain the 
DATAGRID block? Is it complete? Please supply more information!

Regards,

GS


> I run my input file with command
> /home/physics/espresso-4.0.2/bin/pp.x  <density.inp> density.xsf
> and inputs of density.in <http://density.in> are
>  &inputpp
>   prefix  = 'yvo'
>  outdir  = '/home/physics/work/yvo/temp/',
> filplot = 'yvocharge'
>   plot_num= 0
>  /
>  &plot
>   nfile = 1
>  filepp(1) = 'yvocharge'
>   weight(1) = 1.0
>    iflag = 3
>   output_format = 5,
>  /
> 
> with regards,
> Dev Sharma,
> University of Delhi,
> 
> 
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