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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Dear zhangting1980323

I'm not an expert (not even a novice) on RF calculation :-(

However, if you don't use spin orbit and like to experiment I have
something here (within abinit 5.3) which have shown reasonnable
ability to make inhomogeneous system converge.  So if your computation
keeps refusing to converge, tell me and I'll try a test with this new
methods. I don't know at all  if it can work in the framework of RF.

regards

PMA

On 10/23/06, Matthieu Verstraete <mjv500@york.ac.uk> wrote:
> 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
>
> --
> ================================================================
> 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


--
Pierre-Matthieu Anglade