The ABINIT Users Mailing List ( CLOSED )

["M.T.Storr" <m.t.storr@reading.ac.uk>]

Hi,

I was wondering if people had any references for the general accuracy of 
calculations using LDA and GGA energy functionals. I would like to get a 
general handle upon the expected accuracy of calculations for parameters 
such as equilibrium lattice constants, bulk moduli etc.
I appreciate that the accuracy is the calulated results vs. the 
experimental result for a particular calculation, but I would like to have 
a general value to expect.
Thanks for your time and effort.

Mark

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Dr. Mark T. Storr
School of Chemistry
University of Reading
PO Box 224
Whiteknights
Reading
Berkshire
RG6 6AD

E-mail: M.T.Storr@reading.ac.uk
Tel: +44 (0)118 9875123 Ext. 7415
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