[Pw_forum] CIF to PWSCF

Ben Palmer benpalmer1983 at gmail.com
Wed Oct 24 17:27:51 CEST 2012


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





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