[Wien] [Wien2k] Energy vs Volume curve for Delta Plutonium

Michael Fischer dommiguel at gmx.de
Fri Jan 8 13:58:40 CET 2010


Hello,

I can see your point, but I strongly recommend you to get acquainted with the program using more simple examples, like the ones discussed in the UG, before attacking the complex problems you are actually interested in. In the end, you will have a much better understanding of the code, and I believe that you could maybe even save time, because you will be much faster and better equipped for the treatment of your "real" problems.

It is probably trivial to point it out again, but: Always make sure that you have a comparable setup in the first place when you want to compare your results with something from the literature.

Good luck
Michael
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