[Pw_forum] CIF to PWSCF
larikamonu at gmail.com
Fri Oct 26 09:41:00 CEST 2012
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.
> 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
> Yue-Wen Fang
> East China Normal Univ, China
> Pw_forum mailing list
> Pw_forum at pwscf.org
More information about the users