[Pw_forum] HSE

Anna Maria Ferrari anna.ferrari at unito.it
Fri Apr 2 14:15:27 CEST 2010


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

***********************************
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
***********************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100402/4688b6e8/attachment.html>


More information about the users mailing list