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On Thu, Oct 25, 2012 at 4:02 PM, Yue-Wen Fang <yuewen.fang at gmail.com> wrote: > one way is to write a script to convert them! > i usually use castep in Materials Studio to convert the CIF files. > > Best! > >\fg\\\\ff\\ftR > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
