farjam at nano.ipm.ac.ir
Tue Oct 22 06:53:26 CEST 2013
Currently, PDOS can be obtained for different atoms in the system and also
shell resolved to s, p, etc. I am interested also in resolving the p states,
so as to obtain sp2 and pz contributions. Any suggestion? Many thanks.
Dr. Mani Farjam
School of Nano-Science, Institute for Research in Fundamental Sciences
More information about the DFTB-Plus-User