[Pw_forum] CIF to PWSCF

[mousumi uk]

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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
>>
>>
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>
>
>
>
> --
> ----
> Yue-Wen Fang
> East China Normal Univ, China
>
>
>
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