It is well-established that within the DFT+U framework, one can achieve several self-consistent solutions with greatly varying energies for the same exact magnetic ordering. In 2010, Meredig et al. showed that a relatively simple "U-ramping" method could be employed to more easily identify the true ground state solution for troublesome DFT+U cases.
Since it has been over a decade since the aforementioned paper, is this still considered to be the optimal approach when carrying out DFT+U calculations? Are there any other methods commonly used to identify the ground state solution when carrying out DFT+U calculations?
HFSTABILITY=FOLLOW
in CFOUR or Aces2 to "follow" the eigenvectors to the lowest eigenvalue of the orbital Hessian. $\endgroup$Stable
(click on Options here then seeOpt
which does repeated reoptimizations until the lowest-energy solution is found). Is this something that can be done with DFT+U? The paper you mentioned has 247 citations on GS, anything useful there? $\endgroup$