[Pw_forum] how to restart NEB calculations

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue Jul 15 13:10:25 CEST 2014

On Mon, 2014-07-14 at 21:29 -0300, Muhammad Adnan wrote:

> can any one please guide me how can i restart neb calculation from
> last un-converged calculation? 

have you tried "restart_mode='restart'"?

> which files are necessary to restart the calculation.

a lot of them: keep workig in the same "outdir" with the
same "prfeix"

 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 

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