The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <mjv500@york.ac.uk>]

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

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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