[Pw_forum] Typical "energy resolution" of QE

Christoph Wolf wolf.christoph at qns.science
Tue Nov 14 14:11:27 CET 2017


Dear experts,

I am curious to which decimal a typical DFT calculation (more specifically
PW Pseupotential based) is considered realistic. In other words, at which
"DeltaE" are KS states inevitably degenerate?

Thanks in advance for your help and time!

Chris

Ewha womans University, Seoul, Korea
QNS center for quantum nanoscience
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