[Pw_forum] NEB calculation

[Nay Lin]

Dear all,

I am using NEB to calculate the adatom diffusion barrier on metallic
surface.

Do I need to relax the first and last image in separate calculations before
writing the input file for NEB calculation with intermediate images? Or can
be done automatically in single NEB file? What is the criteria for
convergence? (i.e. is it the third column of output file (image
energy(eV)       *error(eV/A)*     fronze) ?

regards
Richard Lin
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