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[abinit-forum] resume a calculation

From: Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
To: forum@abinit.org
Subject: [abinit-forum] resume a calculation
Date: Tue, 16 Dec 2008 04:43:54 +0000 (GMT)
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Hello Everyone,

I have the code compiled on a shared cluster where we have a max wall time for all jobs. When I run geometry relaxation calculations with ABINIT (LSDA) I find that the time it takes to converge to a "reasonable" relaxed state is usually more than the max wall time limit on my cluster.

Is there a input variable which indicates to ABINIT to pick up the wavefunctions and/or charge density from the most recent relaxation run and continue from there onwards. I saw a variable like "getwf" but an not sure how to use it.

Any examples of input files would be extremely helpful.

thank you.

regards,

Anurag

[abinit-forum] resume a calculation, Anurag Chaudhry, 12/16/2008