The ABINIT Users Mailing List ( CLOSED )

["Allendorf, Mark" <mdallen@sandia.gov>]

Dear Prof. Gonze,

Please take me off the distribution list for Abinit. I am not actively using
the program. 

Thanks!

Mark Allendorf

Dr. Mark D. Allendorf
Distinguished Member of Technical Staff
Combustion Research Facility
Sandia National Laboratories
Mail Stop 9052
Livermore, CA 94551-0969

Voice: (925)294-2895
fax: (925)294-2276
web: http://www.ca.sandia.gov/CRF/03_indproc/03_indproc-ht.html

> ----------
> From:         Xavier Gonze
> Reply To:     forum@abinit.org
> Sent:         Thursday, December 19, 2002 11:03 PM
> To:   Riad Shaltaf; forum@abinit.org
> Subject:      [abinit-forum] Re: chrge density contours
> 
> 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
> 
> 
>