[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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