When I searched the internet with 'hybrid functional openmx', I found a 'doc' information named 'Implementation of Hybrid functionals in OpenMX', but no detailed content in it. Does it mean we may be able to use hybrid functionals like B3LYP in OpenMX?
Best, Ruibin
Page: [1]
Re: Hybrid functional B3LYP( No.1 )
Date: 2013/06/03 10:23
Name: T. Ozaki
Hi,
Unfortunately, the implementation of hybrid functionals has not been completed yet. Thus, it is not ready for the functionality to be applied. Thank you very much for your understanding in advance.
This thread is locked.Only browsing is available.
Hybrid functional B3LYP
Re: Hybrid functional B3LYP