ZBRENT: fatal error in bracketing

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ZBRENT: fatal error in bracketing

Postby shideh » Thu Jul 13, 2017 7:31 pm


My system is nanoparticle on the surface and uses GGA+U method. I found this error for doing optimization calculations:  

ZBRENT: fatal error in bracketing  
please rerun with smaller EDIFF, or copy CONTCAR 
to POSCAR and continue 

I restart calculation by copying CONTCAR to POSCAR, and tried to change (IBRION=1 and ADD=.true.) and decrease (POTIM), but the problem remains. 

How can I solve this problem?

Thank you! 

ZBRENT: fatal error in bracketing-VASP. Available from: https://www.researchgate.net/post/ZBREN ... eting-VASP [accessed Jul 13, 2017].
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