[Pw_forum] About HSE calculations

[Paolo Giannozzi]

On Feb 8, 2013, at 21:53 , Marcos Veríssimo 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.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222