The ABINIT Users Mailing List ( CLOSED )

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

tolvrs=1E-18 is abominably low. In any real life case where there is 
vaccuum you can never hope to get the potential that precise. 1E-17 is 
already very good. For solid state systems (bulk) you can hope to get down 
to tolvrs=1E-18 but in most cases it's overkill.

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