I just had a quick look at the source code, phq.readin.f90 in QE release 5.3.0, and see that support of lda_plus_u is still not supported for the calculation of electron-phonon interactions in Hubbard manifolds. It's been a number of years since this issue was originally posted on pw_forum. Is their a particular problem within the QE formalism, maybe in the basis set resulting from a Hubbard calculation, that would make this extremely difficult.or impossible.to implement? What source code routines would need modification/replacement?
Thanks, -Paul Paul Michael Grant, PhD Physicist and Science Writer Senior Life Fellow, American Physical Society Fellow, Institute of Physics, United Kingdom APS Distinguished Lecturer on Applications of Physics (2014-15) Staff Associate, Jet Propulsion Laboratory, NASA (2011-15) Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member/Manager Emeritus Principal, W2AGZ Technologies <mailto:w2...@w2agz.com> w2...@w2agz.com <http://www.w2agz.com/> http://www.w2agz.com
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