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?
Influence of PBE pseudopotential on hybrid functional calculation
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kky8822
Influence of PBE pseudopotential on hybrid functional calculation
Last edited by kky8822 on Wed Jul 18, 2012 12:34 pm, edited 1 time in total.
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admin
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Influence of PBE pseudopotential on hybrid functional calculation
no, this rumor is bullshit
Last edited by admin on Fri Jul 20, 2012 1:45 pm, edited 1 time in total.
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kzhuo3
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Influence of PBE pseudopotential on hybrid functional calculation
lol
Last edited by kzhuo3 on Wed Jul 25, 2012 4:23 am, edited 1 time in total.