[Pw_forum] Can QE do XANES calculations using hybrid functionals
tianfeng at umich.edu
Tue Oct 23 03:34:10 CEST 2012
> Dear All,
> I am interested in using XSpectra in QE to do some hybrid
> functional XANES calculations. Some hybrid functionals such as B3LYP, HSE,
> and PBE0 have been implemented in QE and I am wondering if these
> functionals can be used to do XANES calculations? Thanks.
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