[ase-users] Re.: use of inbuilt optimizer available with CRYSTAL code for doing NEB calculation with ASE

Fri Nov 29 07:47:25 CET 2019

Dear ase users and developers,

I'm doing NEB calculation with ASE using CRYSTAL calculator.  However, convergence issue arise during geometry optimization of the images. Is it possible to use inbuilt optimizer available with CRYSTAL code for doing NEB calculation with ASE? 

Thank you!

Kind regards,

MK Singh

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