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restart NEB jobs

Posted: Fri Jul 21, 2006 5:31 am
by hu007
Dear all,

If I want to change some setting of a NEB job after running, can I copy the CONCAR to POSCAR for each images and proceed the calculation with the new settings. Is there a better way to do that?

Thanks.

restart NEB jobs

Posted: Fri Jul 21, 2006 8:07 am
by admin
yes, so you can also continue form the WAVECARs of the images
(ISTART=1), which helps to save computing time.