[Pw_forum] how to restart NEB calculations
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
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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