[Pw_forum] Total DOS and sum of PDOS don't overlap

[Luis Martínez]

Dear QE users,

I have performed a DOS calculation of a metal oxide system with some
adsorbates.
Then I plot the total DOS using the file myfile.pdos_tot, and I also plot
the sum of the PDOS generated by the program sumpdos.x included in the
Quantum Espresso package.
In principle both plots should give the same, but what I see is that the DOS
plots for the zone of the unoccupied bands do not overlap. In particular,
the DOS area generated with the sumpdos.x program is considerably smaller.
I can't understand why do I encounter this difference. Is there a reason for
that?

Thank you

-- 
Luis Martínez
Suarez
Lehrstuhl fuer Theoretische Chemie
Ruhr-Universitaet Bochum
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