Dear Developers and Experts, I am interested in studying the adsorption of aromatic molecules on the metal surfaces. From the literature, it is shown that the van der Waal's interactions play a significant role in such systems and the optimized versions of the vDW-DF functional best describe the structural and electronic features. More details can be found on these reports, (J. Chem. Phys. 140, 084704 (2014), J. Phys. Chem. C 2015, 119, 1886−1897 and J. Phys. Chem. Lett. 2016, 7, 2228−2233).
My question is regarding the pseudopotentials. Is it a proper way to do the calculations by taking the PBE pseudopotential (available at the quantum Espresso website) and include the van der Waal's interaction using input_dft flag? Any help is highly appreciated. Thanks in advance. Regards, *NANDHA KUMAR V.* Research scholar, IISER, PUNE.
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