[QE-users] DFT + U Occupation Matrix Control (OMC)

[Nabeel Anwar]

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:na5g20 at soton.ac.uk> | 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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