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Hi ,Sometimes my calculations crash with the following message in standard output
ZBRENT: fatal error in bracketing
please rerun with smaller EDIFF, or copy CONTCAR
to POSCAR and continue

What might be the cause of such an error ??

Thanks a lot

Hi,

I m not sure about what you said : "please rerun with smaller EDIFF, or copy CONTCAR
to POSCAR and continue".

However, "ZBRENT: fatal error in bracketing" means that VASP cannot find the next energy.

if your system has already converged (or almost) , just copy CONTCAR to POSCAR and run using IBRION = 1. I think it ll help you.

Cheers
Kambiz