Hello,
Can someone please tell me what is required to restart a NEB calculation
that has timed out ? What files from the initial run are needed for the
restart ? Are there any file naming conventions that must be followed ?
What modifications (other than restart_mode='restart') are needed in the
input file ?
One final question ... does it make any difference whether I restart
using
the latest .path file from the previous run or manually, using the latest
atom positions in the .crd file ?
Thanks,
Vic Bermudez
Victor M. Bermudez
Code 6876
U.S. Naval Research Laboratory
4555 Overlook Ave., S.W.
Washington, DC 20375-5347
Phone: 202-767-6728
FAX: 202-767-1165
E-mail: victor.bermudez at nrl.navy.mil
