[Wien] m-decomposed PDOS

Marcos Veríssimo Alves marcos.verissimo.alves at gmail.com
Sat Aug 7 14:48:34 CEST 2010


Hi all,

I have a system with Ru andf Ti atoms, for which I would like to plot an
m-decomposed PDOS. After the end of the spin-polarized calculation, when I
configure the input file for tetra, the web interface gives me the following
options for the Ru and Ti orbitals:

tot, s,p,PZ,PX+PY,d,DZ2,DXY,DX2Y2,DXZ+DYZ,f

Why doesn't it give me the option of getting separately DXZ and DYZ? Would
it be possible to get these PDOS separately in some way?

Thanks,

Marcos
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