Hi QE users, in order to calculate energies with the vdw functional, I have used input_dft = 'vdW-DF'.
At the beginning of the output file, it is written: Exchange-correlation = VDW-DF ( 1 4 4 0 1 0) what do the ( 1 4 4 0 1 0) numbers mean? Thanks ! -- A. Dávila AG. Pehlke Institut für Theoretische Physik und Astrophysik Christian-Albrechts-Universität zu Kiel Leibnizstr. 15 24118 Kiel _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
