[Wien] Restoring a MSR1a
salman.zarrini at tu-darmstadt.de
Mon Mar 24 11:59:35 CET 2014
Dear Wien2k user,
I have a converged "MSR1a" calculation of a single water molecule on
top of a partly free (partly frozen) surface while the initial
distance between them is "d1", I want to recalculate exactly the same
job (MSR1a), but with the new initial distance between the molecule
and surface let's say "d2". I know when and how to save and restore a
converged job for changing factors like "RmtKmax", "k-point", "Gmax"
and so on, however, I am not sure if it is possible to do the same for
changing the initial distance from "d1" to "d2" as well, or I have a
completely new system which has to be started from the beginning. Any
helpful command would be appreciated in advance.
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