[Pw_forum] How to plot charge density for different orbitals?

Paolo Giannozzi 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 mailing list