UT theoretical chemistry code forum

I d really appreciate it if you answer my question.

After using "split_dos" the DOSXX files have 7 columns. What are those columns?

Cheers

Hi,

I guess you used ISPIN=2; thus these 7 columns in DOSCAR would be the following:

Energy-E_fermi s-DOS(up) s-DOS(down) p-DOS(up) p-DOS(dwn) d-DOS(up) d-DOS(dwn)

I hope these could answer your question.

Best

Thanks a lot,

That was what I thought.

cheers