[Ifeffit] non-standard space group P 21/n

[Robert Gordon]

HI Andrea,

My suggestion, if you know where all the atoms are in the unit cell, is to
use
space group P1. It may be tedious and brute force in nature, but you won't
have
to worry about origin choices or non-standard space groups. You will still
know
which atoms are equivalent and can pick an appropriate one as your target
atom.

regards,
Robert

On Fri, Dec 5, 2014 at 8:07 AM, Sanson Andrea <andrea.sanson at unipd.it>
wrote:

> Dear all
>
> does anyone know if is it possible to create with ATOMS
> the non-standard space group P 21/n ?
>
> Space group keywords are listed at the atoms website
> http://iffwww.iff.kfa-juelich.de/icp/atoms/atoms.sgml-7.html#ss7.4
> but no keyword for P 21/n group is available.
>
> Thanks for any suggestion.
> Best regards,
> AS
>
>
>
>
>
>
>
>
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