My Community • When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

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When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Posted: Thu Feb 25, 2010 3:17 am

by huangdan

When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Thanks for your helps!

When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Posted: Fri Mar 05, 2010 8:38 pm

by admin

yes, please use paw-pseudopotentials and define the exact-exchange type in INCAR