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VOSKOWN-tag

Default 0


Usually VASP uses the standard interpolation for the correlation part of the exchange correlation functional. If VOSKOWN is set to 1 the interpolation formula according to Vosko Wilk and Nusair[53] is used. This usually enhances the magnetic moments and the magnetic energies. Because the Vosko-Wilk-Nusair interpolation is the interpolation usually applied in the context of gradient corrected functionals, it is desirable to use this interpolation whenever the PW91 functional is applied.



Georg Kresse
2009-04-23