[Pw_forum] no convergence on an image in neb calculation

Juliana Silva julianacmsilva at yahoo.com.br
Fri Jun 1 18:14:15 CEST 2012


Dear all,

I'm trying to perform a NEB calculation following the tips in the user guide, but I don't get scf convergence in the 3rd image so it stops. Is there any trick I can do to get convergence? My input is attached. 

Thanks!
Juliana
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