[Pw_forum] CIF to PWSCF
yuewen.fang at gmail.com
Thu Oct 25 15:02:41 CEST 2012
one way is to write a script to convert them!
i usually use castep in Materials Studio to convert the CIF files.
2012/10/24 Ben Palmer <benpalmer1983 at gmail.com>
> 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?
> Pw_forum mailing list
> Pw_forum at pwscf.org
East China Normal Univ, China
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