UT theoretical chemistry code forum

I have used it for f-electrons and didn't have any trouble with it, although this was some time ago.

There are a couple of minor errors in the spin-polarized version of doslplot included in the vtstscripts package. If 'a' for all bands is chosen, data from all columns are added, whereas the data from the spin-down columns need to be subtracted to avoid cancellation. The total DOS from DOS0 should ...

First off, I'd like to say that I greatly appreciate your generosity in sharing these codes and scripts for VASP. They've sped up my own research on transition state searches and I've convinced everyone else in my group that uses VASP to check them out as well. Love it! Now for the questions: 1 ...