mbx mb-dft(dc) with Quantum Espresso

[Mark Jones]

Dear all,
Does anyone have experience with Quantum Espresso (QE) and would maybe know how to go about to interface QE with the MB-nrg potential energy functions (PEFs) for DFT calculations to include the density correction for such calculations for water?

I'm referring to this branch here which holds the MB-DFT code: https://github.com/paesanilab/MBX/tree/mb_scan_mb_dcscan

Any help how to go about interfacing to QE would be great.

Best,
mark