[Pw_forum] HSE

[Carlo Nervi]

Anna,
as far as I know (perhaps others should confirm what I'm writing) the 
HSE functional can be employed, provided that you compile QE with -DEXX.

A different problem is the generation of PP by ld1.x with the desired 
functional.
	Carlo

Anna Maria Ferrari ha scritto:
> Dear All
> I would be interested in the use of HSE functional.
> I know that for the moment the suggestion is to use usual PBE, PW91 
> pseudopotentail
> since HSE pseudo are not available. Am I right?
> Anyway I would like to know if there is an example in the PWSCF list of 
> examples
> or a documentation that i should know in order
> to prepare a correct input for this long-range scheme? 
>  
> thanks
> anna
>  
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> Anna Maria Ferrari
> Dipartimento Chimica IFM
> Università di Torino
> via P. Giuria 5
> 10125 Torino ITALY
>  
> phone  ++39 +11 6707563
> fax       ++39 +11 670 7855
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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
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