Re: FEFF Potentials

[Gilles Hug <gilles.hug@onera.fr>]

> Is there a way to have more than 8 different POTENTIALS with FEFF 8.2?
>
> To calculate XANES for molecules with different types of ligands it 
> would be desirable to have at least 16 unique potentials. Can one 
> change that or is the limitation necessary?

it is necessary to recmpile the code with nphx = 16 in the lines :

c      max number of unique potentials (potph)
       parameter (nphx = 7)

Gilles
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        Gilles Hug
        LEM, UMR 104, ONERA-CNRS, BP72
        92322 Chatillon Cedex, France
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        mailto:Gilles.Hug@onera.fr
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