UT theoretical chemistry code forum

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 be plotted as 1:(\$2-\$3) in order to plot the spin-up and -down contributions as is done for the specific bands.

Thanks for pointing out the bug. I've updated the code.

It appears doslplot does not work for f-electrons. In fact, I am not 100% sure but it also looks like the split_dos.ksh doesn't work for f-electrons either. Is this correct? If so, is there an f-electron version floating around out there? Otherwise I will just get my hands dirty and make my own ;)

Many thanks!
-Chris

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