[Wien] Type II AFM MnO

[Manish Jain]

Thank you Elias and Dr. Tran for the prompt replies and the help!

Regards,
Manish


On Thu, 5 Nov 2015, tran at theochem.tuwien.ac.at wrote:

> 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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>> 
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