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restart options


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  • From: Pawel Scharoch <scharoch@rainbow.if.pwr.wroc.pl>
  • To: forum@abinit.org
  • Subject: restart options
  • Date: Thu, 4 Nov 2004 09:00:19 +0100 (CET)



Dear Abinit users, developers,


in some cases it would be very usefull (and CPU time
saving) to be able to read both wave functions and ionic
positions from the previous run (e.g. getwfk -1, getxred -1),
in the multi-dataset mode, but at the same time to be able
to change slightly some values of fixed degrees of freedom.
The relaxation of the free degrees of freedom could start then
from where it stopped in the previous run.
Does ABINIT provide such an opportunity ? (I can not find
the appropriate option).

With best regards,

Pawel








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