Dear Users, I would like to study the defect chemistry of bulk actinide oxides. Does the Quantum Espresso DFT + U implementation have Occupation Matrix Control (OMC) similar to that available VASP or ABINIT?
Affiliation: University of Southampton Thanks, Nabeel ___________________________________________________ Nabeel Anwar MSci, AMRSC PhD Chemistry Skylaris Research Group School of Chemistry, University of Southampton EPSRC CDT in Theory & Modelling in Chemical Sciences (TMCS) E-mail<mailto:[email protected]> | LinkedIn<https://www.linkedin.com/in/nabeel-anwar-b0b1b7aa/> | ORCID<https://orcid.org/0000-0003-1221-9256> | ResearchGate<https://www.researchgate.net/profile/Nabeel_Anwar2> [cid:652273c4-76df-4f9e-8ace-8e3e8110b2a0]
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