[QE-developers] Doubts regarding pdos
Giovanni Cantele
giovanni.cantele at spin.cnr.it
Thu Feb 13 11:45:49 CET 2025
Quite difficult to answer, at least for me. Maybe more details on your
problem would be needed, e.g. input/output files or
else list of output files generated by projwfc.x.
Giovanni
--
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it <giovanni.cantele at spin.cnr.it>
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: https://sites.google.com/view/giovanni-cantele/home
Il giorno gio 13 feb 2025 alle ore 11:17 Preetha S <preethasnair11 at gmail.com>
ha scritto:
> Sir
> I am research scholar from university of kerala.
> I have investigated the properties of ZnO using Quantum ESPRESSO, but
> encountered an issue where the Zn 4s states cannot be projected, despite
> the pseudopotential including these states. How can I resolve this problem
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