[Pw_forum] Gradient of charge density

Paolo Giannozzi 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

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