[QE-users] Doing full geometry relaxations in charge-doped systems
Dominic Varghese
vargh085 at umn.edu
Tue Apr 7 05:51:39 CEST 2026
Hi all,
I was trying to charge dope systems and wanted to do full lattice
relaxations(vc-relax), but I read in some papers that such a calculation is
not fully incorporated in the QE code yet. Is that still the case? Is only
ionic relaxations allowed for such systems (relax) ?
Thanks
Dominic
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