Author Topic: Use of fully separable ECP  (Read 5317 times)

MarcMB

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Use of fully separable ECP
« on: May 18, 2011, 09:02:16 AM »
Dear all
I have a question concerning the use of ECP. I am not familiar with this topic so it could be an obvious question, sorry for that.

" It is possible to use a fully separable ECP (a model potential) like a GTH ECP ?"

 I had a look in the basis set file but as far as I see only  semi-local potentials are used. If it is possible could someone give me some information regarding the format.