How to plot the t2g and eg orbitals with qAgate?? It’s can only plot the total d orbital !!
PS: I calculated the PDOS with prtdos 3
Thank you for your question and welcome in the Abinit forum.
First you have to verify that your symmetry is cubic and aligned along x y and z (not rotated like in a pnma 20 atoms).
Moreover, you have to to use prtdosm on top of prtdos 3 (see File-handling - abinit) to decompose properly your orbitals.
Let me know if it helps to resolve the problem.
Thank you a lot for your response. I resolve the problem by adding prtdosm 1 .
PS: It doesn’t depend on the symmetry !! I calculated the PDOS of tetragonal and cubic structures.