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Hybrid Functionals
Posted: Fri Apr 10, 2015 12:55 pm
by martinspenke
Dear Daniele,
Does the new yambo version (4.0.0) now support Hybrid Functionals ?
And what about self consistency?
Bests
Martin
Re: Hybrid Functionals
Posted: Fri Apr 10, 2015 1:34 pm
by Daniele Varsano
Dear Martin,
the improvements of the new release are manly towards massive parallelization.
Self-consistency is not yet included.
Hybrid functionals: it is possible to start from B3LYP and HSE functionals, even if they have still not extensively tested.
Please note that in the new release additional variable need to be set for the parallelization strategy, I invite you to have a look to the parallelization tutorial that will be available in the next days.
Best,
Daniele