Hello,

I'm writing the list to a get a general consensus on ADF, its obviously
a great product and I am just getting started in computations. I am
interested in doing density functional calculations for metal surfaces
upon the adsorption of some simple molecules (e.g. CO). There are many
ways to do this but I am interested if such calculations are possible
utilizing a single or dual processor machine (no cluster) with ADF.
Right now I have a demo version and it works great for simple organic
molecules, but seems to not even start a calculations when I put a few
metal atoms as a model surface. It is currently running on a P4 (2.8
ghz + 512) and the machine in the future will be dedicated to ADF
calculations. Any suggestions for a beginner?

thanks,

Mat
Received on 2005-05-24 22:16:48