Re: [QE-users] mBEEF-vdW

2020-09-11 Thread Fabrizio Ferrari
Hi Michal, at present libbeef is used by QE only for GGA. The libxc functional 'mgga_x_mbeefvdw' formally appears as an ordinary mGGA functional, with no dependence on extra parameters, so I would say that, at least formally, it is possible to use it as an input_dft. That said, I don't know much

[QE-users] mBEEF-vdW

2020-09-11 Thread Michal Krompiec
Hello, Is it possible to use the MGGA mBEEF-vdW in QE? (via libbeef or libxc) Best regards, Michal Krompiec Merck KGaA ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org