[Pw_forum] Hybrid functionals& Wannierisation
jpliu at physics.rutgers.edu
Mon Oct 22 10:16:06 CEST 2012
Dear QE developers and users,
I am trying to get Wannier functions and the Hamiltonian matrix elements
in Wannier basis from a standard DFT calculation calculated with hybrid
functional(HSE). I downloaded the latest version(5.0.1), based on the
README file in the EXX_example folder, it seems to me we still can not do
a nscf calculation with hybrid functional, therefore can not do
wannierisation. I just want to ask if I missed anything recently updated.
Is there any new version of QE(new add-ons) or new approach to Wannierise
a DFT output calculated by hybrid functional?
I appreciate any comments.
Department of Physics and Astronomy,
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