[Wien] Volunteers for constrained fixed-point

[Laurence Marks]

Dear All,

I have a working (I believe) version of the mixer that includes constraints
on atomic positions. It can therefore be used to find transition states,
and for other things (perhaps Berry phase and phonons). I suspect that it
may reduce the time to find a transition state by a factor of 10-100. I am
looking for experienced Wien2k users to test it. Please contact me off the
list -- and not the word "experienced".

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180630/bb358511/attachment-0001.html>