electron number by integral the DOSCAR
Posted: Thu Nov 11, 2010 12:13 am
Dear all,
I want to study the electron on s,p,d... orbitals. So I set LORBIT=11 in INCAR, then integral the DOSCAR from the lowest energy to the fermi energy. But the summation of the electron number of s, p, d orbitals is less than the total electron number. What's the reason? How can I get the electron number of each orbitals?
Thank you very much.
xfh
I want to study the electron on s,p,d... orbitals. So I set LORBIT=11 in INCAR, then integral the DOSCAR from the lowest energy to the fermi energy. But the summation of the electron number of s, p, d orbitals is less than the total electron number. What's the reason? How can I get the electron number of each orbitals?
Thank you very much.
xfh