Dear all,
I wonder if anyone know how to calculate electron DOS
of individual atom? I know there is a projected DOS block, but that one only
records total DOS. For example, I have a system with 1000 atoms, I can
calculate its total DOS, so that I can get band structure; but if I would like
to calculate the electron DOS of the first 100 atoms, how could I do within
SIESTA?
Many thanks,
Cherry
---------------------------------
Yahoo! Messenger with Voice. Make PC-to-Phone Calls to the US (and 30+
countries) for 2ยข/min or less.
