[Pw_forum] charge density output format from pp.x
Stefano de Gironcoli
degironc at sissa.it
Sat Apr 2 10:14:03 CEST 2011
I think the easiest way is to save the file in xcrysden format using the
pp.x code and then visualize it using xcrysden. for 2D plots one can
also use the plotrho.x code.
have a look to example05 and example16
On 04/01/2011 11:01 PM, jorge.gallardo at cab.cnea.gov.ar wrote:
> I need to calculate the charge density of an aluminum nano-structure.
> There is a way to get the electron density as a function of spatial
> coordinates(say, rho(x,y,z) ) using Quantum Espresso?
> In adition, The "pp.x" program generates a file "al.pp.dat", which can
> then be drawn, for example with "plotrho.x", if I want to plot it with
> GNUplot I did output_format = 0 in the "al.pp.in" file, the I ran pp.x.
> The output file "al.rho.dat" has a single column: how can I draw this file
> using gnuplot?
> Thanks in advance
> Lic. Jorge Gallardo
> Materiales Metalicos y Nanoestructurados
> Bariloche Atomic Center
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