The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Riad Shaltaf,

Riad Shaltaf wrote:
> Hi Sir,
> We have been trying to use the utility cut3d to plot some charge density
> contours. The problem is that the file *_DEN  contains the total charge
> density . so using cut3d will provide the contours for total charge
> density. since we need to plot the charge density for specific bands I
> wounder if there is any possiblity to get it done.

Yes : please, take the file ~ABINIT/Test_v2/t47.in as an example.
The idea is to compute first the converged density, as usual,
and then, to make a non-self-consistent generation of the
density corresponding to different occupation numbers, or k-point
weights, etc ... Then, you can analyze that file using cut3d .

Xavier Gonze