[Pw_forum] How dose the restart work?
Pieremanuele Canepa
pc229 at kent.ac.uk
Thu Oct 22 11:01:54 CEST 2009
Dear all ,
my question for today is: How does the restart work in PWscf when in a
vc-relax job?
Once activated the restart, as restart_mode = 'restart', in the
control section, will PWscf read either the last wave function and the
last geometry or just the last density?
Would it possible to restart a job from the previous geometry instead
of the the wave function? Can I do both of them?
All the best, Piero
--
Pieremanuele Canepa
Room 104
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
-----------------------------------------------------------
More information about the users
mailing list