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 Universit? 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://www.democritos.it/pipermail/pw_forum/attachments/20100402/4688b6e8/attachment.htm
