[Pw_forum] about Ueff in LDA+U calculation

[Stefano de Gironcoli]

dear patriot
please provide your identity and  affilaition
best regards,
Stefano de Gironcoli - SISSA nd DEMOCRITOS

patriot pershing wrote:
> dear please:
> i would do LDA+U calculation on ZnS and ZnO material using Quantum
> Espresso code and i would use Ueff in my calculations which is defined
> as U - J by changing these 2 parameters but when i have traied to do
> this using espresso code i don't arrived to do this because only the U
> value as well as alpha parameter can be modified for this reason i
> would if any one can help me in this point. secondly, i would ask what
> i need to do GGA+U calculations? ( i think in espresso is just do
> LDA+U calculation + USPP with GGA exchange-correlation function)
> best regards
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