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.Felix -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121022/3dbc9ddd/attachment.html
