[Pw_forum] Gradient of charge density
giannozz at nest.sns.it
Tue Aug 3 18:31:00 CEST 2004
On Tuesday 27 July 2004 16:30, Subhradip Ghosh wrote:
> I am interested in plotting the gradient of charge density and
> the laplacian of charge density on the same plane as the
> charge density itself. Can somebody suggest an algorithm
> available on this?
for calculating the gradient and the laplacian? in G-space.
See routine PW/gradcorr.f90 for an example.
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
More information about the users