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Way to Allow for Limited Walltime?

Posted: Thu Dec 27, 2007 6:17 pm
by HSims
I'm running on a system with a rather restrictive policy on running time. Is there a way to instruct VASP to write the necessary files for a continuation run at some convenient inverval? Obviously, this is not likely to be simply some INCAR tag I can set.

Thanks.

Way to Allow for Limited Walltime?

Posted: Thu Jan 03, 2008 9:57 am
by admin
the easiset approach is to set the number of ionic steps (NSW) such that you can safely finish NSW iterations, and continue with WAVECAR and CONTCAR.