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Re: How to run FF using external basis.lib with ECP basis?

Masoud Nahali
masoudnahali@gmail.com


Dear Vyacheslav

If I understand your mean well, it seems that it is not available as mentioned in the link below :

http://classic.chem.msu.su/gran/gamess/ecp_tutorial.html

I hope it will be available later. Anyhow you should use the another method which mentioned in the link.


-----------------
Masoud Nahali        
PhD Student of Physical Chemistry
Sharif University of Technology


On Fri Oct 22 '10 10:59am, Vyacheslav wrote
-------------------------------------------
>Hi!
>Small question: is it possible to use external basis.lib file with ECP basis? If so, what should I do about it? I can not explain FF that the basis.lib file has the ECP group; it uses only the valence part of the potential from external lib.
>Thanks in advance!
>     Vyacheslav
>

[ This message was edited on Tue Oct 26 '10 at 4:13pm by the author ]


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