How do i calculated PDOS
Posted: Sat Jul 14, 2012 8:49 pm
Dear VASP users,
i want to calculate PDOS for a material which contains three atoms like C,B and N. I performed a spin polarization calculation,i found that DOSCAR file contains information of s,p,d and f orbitals. how can i calculate PDOS by using this information.
yours sincerly
i want to calculate PDOS for a material which contains three atoms like C,B and N. I performed a spin polarization calculation,i found that DOSCAR file contains information of s,p,d and f orbitals. how can i calculate PDOS by using this information.
yours sincerly