ZBRENT: can't locate minimum, use default step. How to solve this issue in DFT optimized calculation?

Bipin Lamichhane @Bipin_Lamichhane2

06 June 2017 1 11K Report

I am using vasp for the calculation of optimized structure

Dinesh Thapa

Use CONTCAR of your optimization as POSCAR and again do OPTIMIZATION. Hope this will work.

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