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://pwscf.org/pipermail/pw_forum/attachments/20121025/433f17ea/attachment.html
