CCL: PESscan

["Alcides Simao" <alsimao(_)gmail.com>]

 Hello All!

Dear Alexandra,

Yes, you can do PES of uni, bi, tri,
 'all-that-your-cpu-can-hold-as-long-as-it-doesn't-bust' dimensions
 ;)

Just be careful with the parameters you use to make the relaxed
 PES.
 
Peter mencioned also the use of the opt=loose for when some optimizations
 get stuck. It's a way of working, although I use a different approach. I
 reoptimize points that don't converge in a solo calculation, with the same
 converge criteria, for a longer time. IMHO, I get a tidier PES scan!
 Nevertheless, I will not dare to say that Peter way of working isn't correct
 - I just don't use it. Loose criteria means a less demanding convergence
 tolerance. But I'll try to use his way just to compare with mine, and see
 what I get.
 
Best Regards,

Alcides