[Wien] wien2venus.py problem

Dr. Sharat Chandra sharat at igcar.gov.in
Fri Jul 19 10:47:41 CEST 2013


Dear Yasir Ali

Please use XCrysden for calculating the 3D electron density distribution 
in WIEN2k. It can handle spin polarized cases as well.

Regards
Sharat Chandra

On Thu, 18 Jul 2013, Yasir Ali wrote:

> Date: Thu, 18 Jul 2013 22:16:35 -0700 (PDT)
> From: Yasir Ali <yasiralikhan_25 at yahoo.com>
> Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> To: wien <wien at zeus.theochem.tuwien.ac.at>
> Subject: [Wien] wien2venus.py problem
> 
> I am facing problem in wien2venus.py. i used "wien2venus.py 50 50 50 "to 
> generate case.rho3d file of electron density. When i used to plot this 
> generated file, i.e., case.rho3d in VESTA, it does not give plot but 
> only give an empty cube.
>
> So any one can tell me what is the problem?
>
> Regards:
>
> Yasir Ali



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