[Wien] optimization

[Torsten Andersen]

Sorry for the bad joke...

but if you have an MS in solid state physics, your intuition should be 
able to tell you where to begin.

Complete (whatever that means) optimisation is in most cases a difficult 
thing to perform, but following the steps in the UG of Wien2k is the way 
to go.

Play around with the different settings first, and waste some CPU hours 
to get to know how it behaves.

If then something goes wrong and you can't solve it, mail the list with 
a detailed description of what you are trying to do, and a copy of your 
structure file. Then we might be able to answer you...

If it is volume optimisation, or a/b, it is fairly easy using the UG and 
the information on www.wien2k.at.

Best regards,
Torsten Andersen.


-- 
Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/