[Pw_forum] vdW

Alexandra Davila davila at theo-physik.uni-kiel.de
Wed May 31 12:26:01 CEST 2017


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




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