[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
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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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