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SCF Convergence Strategies


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  • From: fred.bennett@csiro.au
  • To: forum@abinit.org
  • Subject: SCF Convergence Strategies
  • Date: Wed, 2 Jul 2003 07:56:30 +0200

Is there any information available discussing SCF convergence strategies? I
am having problems here and tend to get oscillating. Is it possible to try
and dampen the oscillation or are there any suggested approaches for trying
to coax convergence.

Also, is it possible to restart a partially converged SCF calculation?

Thanks

Fred


  • SCF Convergence Strategies, fred . bennett, 07/02/2003

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