[Pw_forum] About HSE calculations

Marcos Veríssimo Alves marcos.verissimo.alves at gmail.com
Fri Feb 8 15:31:37 CET 2013


Hi all,

Sorry if I am asking a question where the answer is already available, but
I have searched for info on this without success. I intend to perform HSE03
calculations on Si compounds, but I am uncertain as to the pseudopotential
to use. Is it a common GGA pseudo, or do I need to create a new pseudo from
scratch using this functional? If so, would anyone be so kind as to supply
pseudos for Si and H with this functional, if available?

Best regards,

Marcos
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