[Pw_forum] CIF to PWSCF

[Yue-Wen Fang]

one way is to write a script to convert them!
i usually use castep in Materials Studio to convert the CIF files.

Best!


2012/10/24 Ben Palmer <benpalmer1983 at gmail.com>

> Hi,
>
> I'm new to pwscf and I'm trying to find the relaxed co-ordinates for an
> Iron crystal.  I've been trying to set up the initial crystal from a cif
> file.  Is there a way to convert from cif to the pwscf format?
>
> Thanks
>
> Ben
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
----
Yue-Wen Fang
East China Normal Univ, China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121025/433f17ea/attachment.html>