[Wien] Regarding supercell

Riyajul Islam riyajul80 at gmail.com
Wed Jun 6 06:11:36 CEST 2018


With doping I am getting different new and old multiplicity. So should I
also change the multiplicity?

On 6 June 2018 at 03:34, Pablo de la Mora <delamora at unam.mx> wrote:

> Yes, with the doping you change the symmetry, so sgroup will rearrange the
> atoms of the cell and recover the 'remaining' symmetries
>
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