Firefly and PC GAMESS-related discussion club



Learn how to ask questions correctly


Re^4: How to run FF using external basis.lib with ECP basis?

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


Dear Pedro,
sorry, I don't understand you: you use part of basis set in external file and another part (ECP) in input?
Or you mean something else?
----------------------------------------

On Thu Oct 28 '10 1:14pm, Pedro Silva wrote
-------------------------------------------
>You can use ECP with external basis sets: include the ECP group on your usual input file. �basis.lib should only have the basis set definitions.
>I do this all the time...

>Pedro S.


[ Previous ] [ Next ] [ Index ]           Thu Oct 28 '10 5:31pm
[ Reply ] [ Edit ] [ Delete ]           This message read 838 times