ieig2rf=1 and usepaw=1

Total energy, geometry optimization, DFT+U, spin....

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charlesdarnay
Posts: 16
Joined: Sun Feb 01, 2015 1:37 am

ieig2rf=1 and usepaw=1

Post by charlesdarnay » Tue Apr 21, 2015 12:38 am

Hi,

I think I have a similar question to viewtopic.php?f=8&t=2195. I posted there but maybe I should create a new topic. So I'm asking here.

I got the following message in a calculation:

Context : the value of the variable optdriver is 1.
Context : the value of the variable usepaw is 1.
The value of the input variable ieig2rf is 1, while it must be
equal to 0

Does that mean I can't use ieig2rf if I'm using PAW? So I can only calculate temperature corrections using norm-conserving pseudopotentials?

Thanks,
Jean Paul

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