Hi,

I would like to plot the partial density of states in terms of dxy, dxz, dyz, dx2−y2, dz2.

Currently, in CASTEP, we can plot PDOS as s, p, d and f orbitals versus energy

But, I would like to plot only d-orbital, but in the form of as t2g and eg orbitals (dxy, dxz, dyz, dx2−y2, dz2).

Any manual calculations needs to be done using the PDOS we get?

If yes, could any one help me please with this.

Thank you