I am a new user of Quantum-Espresso (QE) and I am trying to study the adsorption energy of metals Nanostructures in carbon surface. I want to use the Van der Waals (vdw) interactions play an important role and I want to use Tkatchenko-Scheffler dispersion corrections. But I'm implementing Pseudopotential with scalar relativistic and I have the following error:
! Error in routine setup (1): !Tkatchenko-Scheffler not implemented with USPP/PAW I would like to know what kind of Pseudopotential can use with these characteristics (scalar relativistic and vdw_corr='Tkatchenko-Scheffler'). Thanks in advance for any help. Christian A. Celaya _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
