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Colossal total drifts of values ~0.5 eV/A

Posted: Fri Feb 07, 2020 1:16 pm
by vasilii
Hello dear VASP support team,

I'm trying to figure out why am I getting such a huge total drifts like:
-----------------------------------------------------------------------------------
total drift: -0.215467 -0.364371 -0.397175

The system a periodic 6 layered metal with a molecule on top of it, the INCAR is following:

PREC = Normal
ENCUT = 400
ISMEAR = 0 ; SIGMA = 0.1
IBRION = 1
NELM=200
IVDW=11
LREAL=Auto
NSW = 1000
EDIFFG = -0.005
ALGO = F
NCORE= 24
LORBIT=11

The calculation is performed at the Gamma-point.

Re: Colossal total drifts of values ~0.5 eV/A

Posted: Wed Sep 11, 2024 3:07 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP