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...@yahoo.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: wien <wien@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
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
