Posted by Max on June 06, 2014 at 16:13:21:
Hi,I would like to know how to use an ECP and the associated basis set from the EMSL website in a Molcas calculation.
kind regards,Max
Follow Ups:
Post a Followup
Subject:
if B is 1s22s22p1, what is Li?
Passfield:
Comments: : Hi, : I would like to know how to use an ECP and the associated basis set from the EMSL website in a Molcas calculation. : kind regards, : Max