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Re: [abinit-forum] Why my SCF calculation does not converge?


Chronological Thread 
  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Why my SCF calculation does not converge?
  • Date: Mon, 23 Oct 2006 14:03:39 +0100 (BST)


iprcel is classed as "No meaning for RF calculations yet" I'm not sure this is still true, but it would preclude using PM's idea (iprcel is definitely the best preconditionner you can get in abinit).

Matthieu

--
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Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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