On Feb 8, 2013, at 21:53 , Marcos Ver?ssimo Alves wrote: > Thanks for the prompt answer and once again, sorry for asking > something that is frequently done. Even if the answer is not > satisfactory (from your point of view), it is already a guideline. > Would you know (perhaps from other people's calculations) if the > results are too different if you use the pseudo generated with the > hybrid functional + hybrid functional for the calculation for the > system of interest, or the pseudo with the closest functional + > hybrid functional in the calculation for the system of interest? > This is a detail that I feel is frequently overlooked and not > specified in most of the hybrid functional calculations published > I've viewed so far.
interesting question. Please find the answer and report :-) P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
