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
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hu007
restart NEB jobs
Last edited by hu007 on Fri Jul 21, 2006 5:31 am, edited 1 time in total.
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admin
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restart NEB jobs
yes, so you can also continue form the WAVECARs of the images
(ISTART=1), which helps to save computing time.
(ISTART=1), which helps to save computing time.
Last edited by admin on Fri Jul 21, 2006 8:07 am, edited 1 time in total.