Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
How to run FF using external basis.lib with ECP basis?
Vyacheslav
kreme_vg@chemy.kolasc.net.ru
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
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Fri Oct 22 '10 10:59am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 962 times