Influence of PBE pseudopotential on hybrid functional calculation
Posted: Wed Jul 18, 2012 12:34 pm
Hi!
I calculate some material with HSE06 which is one of the hybrid functionals.
Is it necessary to recalculate the pseudopotential using HSE06 functional?
Someone told me that using hybrid functional without recomputing pseudopotential within PBE pseudopotential can have strong effect.
Is it right?
I calculate some material with HSE06 which is one of the hybrid functionals.
Is it necessary to recalculate the pseudopotential using HSE06 functional?
Someone told me that using hybrid functional without recomputing pseudopotential within PBE pseudopotential can have strong effect.
Is it right?