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[Katalin Gaal-Nagy <katalin.gaal-nagy@physik.uni-regensburg.de>]

Dear Matthieu,

thanks for the answer!
It seems to be that I could manage it, since I have the wavefunction 
files.

Best wishes,
Katalin


On Tue, 26 Jun 2007, Matthieu Verstraete wrote:

> I sympathize...
>
> the restart is the same as for GS calculations.
>
> If you have a wavefunction file (_1WF#) you can restart by giving it the 
> proper name and adding irdwf 1 to your input. You can always limit the number 
> of scf steps, and restart in this way. If you use mkmem 0 on a single 
> processor you can usually use one of the temporary scratch files as input. In 
> parallel this doesn't work.
>
> If you have a density and are desperate enough, you can run the phonon 
> calculation with iscf = -2 or -3 to get the wavefunction file mentioned 
> above, then restart your actual calculation.
>
> Otherwise, you're done for...
>
> 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