[Pw_forum] How to plot charge density for different orbitals?
giannozz at nest.sns.it
Thu Sep 8 14:20:48 CEST 2005
On Wednesday 07 September 2005 11:27, Shujun Hu wrote:
> I want to know how to plot the charge or spin density for different
> orbitals, like 3d, 4s, even T2g in crystal field. As the projwfc.x can
> only manage the total charge or spin density.
it is not presently implemented. One should modify projwfc.x to
calculate and write the projected charge density in the format
of pp.x, then plot it in the usual way
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