[Ifeffit] Re: atoms.inp

Bruce Ravel bravel at anl.gov
Mon May 15 08:24:09 CDT 2006

On Monday 15 May 2006 03:40, you wrote:
> Dear Bruce,
> I have some problems with the occupation probability which it is in
> the publication. To take into account of this factor, A solution is
> to remove manually the atoms (the half for an occupation of 1/2) but
> is there such possiblity in the Atoms program?


This is perhaps the most frequent of the frequently asked questions.  See FAQ
#14 at this page:


 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

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