[ase-users] Re. ASE GUI error in NEB option

मनोज कुमार सिंह /Manoj Kumar Singh mksingh at rrcat.gov.in
Tue Feb 1 12:42:45 CET 2022


Dear ASE users,

I am doing NEB calculation using CRYSTAL calculator. When I tried to visualize the trajectory file (i.e. neb.traj) generated during calculation and click NEB option in Tools, I receive  following error message

Atoms object has no calculator.
Images must have energies and forces, and atoms must not be stationary.

Please help to solve the problem.

Regards,

MK Singh





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