Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] continuing an interrupted run

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] continuing an interrupted run


Chronological Thread 
  • From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] continuing an interrupted run
  • Date: Tue, 19 Dec 2006 17:55:53 +0100
  • Domainkey-signature: a=rsa-sha1; q=dns; c=nofws; s=beta; d=gmail.com; h=received:message-id:date:from:to:subject:in-reply-to:mime-version:content-type:content-transfer-encoding:content-disposition:references; b=a/fTUm+E3T8vVtb98JfIHUQ4OicL7GVS3+zTgyFHPkM5LzziM0O2rB7tcgVETfqv4uK9X6+s/8fKctpjCjfoHXuYZVtFSOpxxEUVL+cZNkpdcj1nVJvQw6y9IJ2CRPb5s/pOoxuMJwtGT+xD+41pSHs607G4JOdr/nHuHHJgQZM=

Hi,

The answer may depend on what you call continuation and what you call a run.
-For an SCF loop, if you manage to get a WF, density or potential file
you might continue your calculations (see option ird* and get*).
-For structure optimisation, between each step you get some new atomic
position and you can obviously restart from those...

regards

PMA

On 12/19/06, Javad hashemifar <jhashemifar@gmail.com> wrote:
Dear Abinit users,

Is there any way to continue an interrupted run or it should be
started from the first. I had a look at the documentation of Abinit
web page but after trying for sometimes I could not find the answer of
this question.

Best regards
Javad Hashemifar



--
Pierre-Matthieu Anglade


  • continuing an interrupted run, Javad hashemifar, 12/19/2006
    • Re: [abinit-forum] continuing an interrupted run, Anglade Pierre-Matthieu, 12/19/2006

Archive powered by MHonArc 2.6.16.

Top of Page