Re: [Ifeffit] Lecture/tutorials required on FeFF 9.x

2013-08-22 Thread Kevin Jorissen
Hi Sanjeev, Depending on what you're doing exactly we may be able to contribute something. We have taught several workshops, although I'm not 100% sure what we have in terms of lecture materials as our workshops tend to be very hands-on. In any case we'd be happy to host contributed tutorials

Re: [Ifeffit] Recommendations for DFT/computational chemistry software?

2013-08-22 Thread Paul Fons
Hi Matthew, You are absolutely correct in that the old adage still applies, garbage in equals garbage out. There is no substitute for knowing what you are doing. On the other hand, the great increases in computer power have made what was a nearly intractable problem much more