> 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/b99f6709/attachment.html
- [Pw_forum] Can QE do XANES calculations using hybrid fun... Feng Tian
- [Pw_forum] Can QE do XANES calculations using hybri... Feng Tian
- [Pw_forum] Can QE do XANES calculations using hybri... Giuseppe Mattioli
