[Wien] continue to restart WIEN2K from an existing charge density
Stefaan Cottenier
Stefaan.Cottenier at UGent.be
Tue Mar 1 08:51:34 CET 2011
> So my question is : Does WIEN2K can also have the ability to run a job from
> the existing charge density?
Yes. How to do it depends on the situation:
1) If your job was killed due to hard ware issues etc., then simply give
your run(sp) command as you did before (perhaps with -NI if you insist
on keeping your broyden history files).
2) If it was a 'finished' job which you saved before by save_lapw -a,
then restore it (restore_lapw -f) and continue by run(sp).
3) If it was saved but only by save_lapw (no -a), then initialize it
from scratch, do restore_lapw -f (to copy the clm* files, which contain
your density) and continue by run(sp).
Stefaan
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