[Wien] Type II AFM MnO

[tran at theochem.tuwien.ac.at]

Hi,

This is MnO.struct which corresponds to AFM II.
In xcrysden you can increase the number of units shown
on the screen with Shift-n.

Xcrysden can also write the lattice vectors (in file .xsf with
"Save XSF Structure").

F. Tran

On Thu, 5 Nov 2015, Manish Jain wrote:

>
> 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
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