Dear QE users,<br><br>I have performed a DOS calculation of a metal oxide system with some adsorbates.<br>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.<br>
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.<br>
I can't understand why do I encounter this difference. Is there a reason for that?<br><br>Thank you<br clear="all"><br>-- <br>Luis Martínez<br>
Suarez<br>Lehrstuhl fuer Theoretische Chemie<br>Ruhr-Universitaet Bochum<br><br>