[QE-users] Looking for systems that are difficult to converge with SCF

John McFarland jm18ec at my.fsu.edu
Mon Aug 12 20:35:37 CEST 2019


Dear all,


I'm trying to find systems that are difficult to converge with SCF.  This includes systems where the energy will fluctuate with SCF iterations, or systems that converge to a local minimum or excited state.  Any info on where I could find or produce such systems, or even actual input files, would be most welcome.


Best regards,


John McFarland
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