[Ifeffit] Re: atoms.inp
Bruce Ravel
bravel at anl.gov
Fri May 5 15:22:27 CDT 2006
On Friday 05 May 2006 09:19, you wrote:
> Dear Bruce
> I try to write the Atoms.inp file of a apatite which has been
> published by suetsugu. the space group is P6 bar (please find the
> publication attached [Journal of Solid State Chemistry 155, 292 } 297
> (2000)]). How can i write this space group in the atoms.inp file?
> Thanks in advance
> Take care
Hi Dominique,
This should work:
space = p -6
HTH,
B
--
Bruce Ravel ---------------------------------------------- bravel at anl.gov
Molecular Environmental Science Group, Building 203, Room E-165
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