[QE-users] Nonlinear Core Correction

Andrew Xu andrewaccount at gmail.com
Mon Dec 28 20:31:12 CET 2020


Hi users,

I'm using pp with nonlinear core correction (specifically, pseudodojo) with
a hybrid functional in pw.x, and get "BEWARE: nonlinear core correction is
not consistent with hybrid XC."

Could someone elaborate on this warning, and if there are rules of thumb
when it is generally ok to go ahead anyways, and cases when it won't work
at all?

Thanks!

Best,
Andrew
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