[Wien] PDOS for several atoms of the same type

[Francisco Garcia]

Dear users,

Please forgive me if my question is too basic, but I believe I am confusing
myself.

I have a CeO2 supercell with 32 Ce atoms and 64 O atoms, then I created an
O vacancy, resulting in 32 Ce atoms and 63 O atoms. All the atoms were made
inequivalent.

After relaxing the structure, I want to compute the Ce 4f and 5d PDOS
summed over all 32 Ce atoms. My understanding is that jatom=0 will pick the
total DOS over the specified column (see case.int below). However, I get
the same plot for all 3 cases, which is wrong.

Any thoughts on what I am doing wrong? Just to let you know, I tried
configure_int_lapw and I honestly couldn't figure it out well.

Thanks for your patience!

FG

CeO2
-1.000 0.00250 1.200 0.003
3 G 0.003  #Don't have enough k-points for Tetra so I used Gaussian
0 1 tot # Global DOS for the entire system
0 7 d-total  # Total Ce 5d PDOS
0 13 f-total # Total Ce 4f PDOS
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