Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

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

Masoud Nahali

Dear Vyacheslav

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

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
>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 ]

[ Previous ] [ Next ] [ Index ]           Tue Oct 26 '10 4:13pm
[ Reply ] [ Edit ] [ Delete ]           This message read 917 times