[Pw_forum] charge density output format from pp.x

jorge.gallardo at cab.cnea.gov.ar jorge.gallardo at cab.cnea.gov.ar
Fri Apr 1 23:01:45 CEST 2011


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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