[Wien] Exchange of Beta to Gamma for monoclinic lattice

shamik chakrabarti shamik15041981 at gmail.com
Mon May 23 20:08:43 CEST 2022


The problem is solved. I have been able to form the proper structure using
Vesta.

with regards,

On Mon, 23 May 2022 at 23:03, shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> Dear Wien2k users,
>
>                      I have a structure of a monoclinic lattice system
> which is attached to this mail. I have tried to exchange beta-gamma, b-c &
> y-z coordinates to make it suitable for running 4D optimization. However, I
> am getting an error of Unphysical Rmt of Co during nn. Please advice.
>
> with regards,
>
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20220523/44185342/attachment.htm>


More information about the Wien mailing list