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Problem : internal ERROR SETYLM_AUG

Posted: Tue Sep 17, 2013 3:17 pm
by Lory
Hello everybody,

I am using VASP to simulation the dynamic in my structure
My simulation is a molecular dynamic at 250K. The simulation is running.

But after a moment I find this error in the vasp.log file "internal ERROR SETYLM_AUG".

Do you have a suggestion to resolve this problem.

My Incar file is like this :

ALGO = Very Fast
MAXMIX = 40
IBRION = 0
PREC = low
SMASS = 2
NBLOCK = 1
POTIM = 2
TEBEG = 300
ISYM = 0
NSW = 1000
ISMEAR = 0
SIGMA = 0.1
LREAL = .TRUE.
LCHARG = .FALSE.
NELMIN = 4

Regards.
Pierre-Fran?ois Lory

Re: Problem : internal ERROR SETYLM_AUG

Posted: Tue Sep 10, 2024 2:32 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