Why do I get an error when calculating PBC in Gaussian?

I'm trying to run a PBC calculation of a 16-atom unit cell. My input is: #p opt pbepbe/6-31g(d,p) Int(Grid=Ultrafine) pop=regular iop(5/33=1) I run it on 16 processors and 30GB memory usage. The...

27 December 2018 6,593 0 View