[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
Hello!,
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
TeMaDi
Bariloche Atomic Center
CNEA
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