My Community

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

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