[Wien] Type II AFM MnO

[delamora]

Have you changed Mn2 by Fe? so you would see different color for Mn1 and Mn2, is this what you are asking?

________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Manish Jain <mjain at physics.iisc.ernet.in>
Enviado: miércoles, 4 de noviembre de 2015 11:33 p. m.
Para: A Mailing list for WIEN2k users
Asunto: [Wien] Type II AFM MnO

Dear WIEN2K Users,

Does Wien2K write the lattice vectors out to a file somewhere?

I am trying to calculate the AFM II rock-salt structure of MnO. However,
as MnO has several AFM configurations possible, I would like to be able to
check which one of the attached structure files corresponds to which
configuration. Unfortunately mere visualization of the struct file with
xcryden does not help much as I would like to transform all the lattice
vectors to (pseudo-) cubic supercells and then visualize the structures.

Could you please tell me where to look for the lattice vectors in the
output files?

Thanks for all your help.

Regards,
Manish

----------------------------------------------
Manish Jain
Assistant Professor
Department of Physics
Indian Institute of Science
Bangalore KA 560 012
India

email: mjain at physics.iisc.ernet.in
Phone: +91 80 2293 2858
web  : http://www.physics.iisc.ernet.in/~mjain
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.