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Monopole, Dipole and Quadrupole corrections: NELECT, IDIPOL, DIPOL, LMONO, LDIPOL, EPSILON and EFIELD

For charged cells or for calculations of molecules and surfaces with a large dipole moment, the energy converges very slowly with respect to the size $ L$ of the supercell. Using methods discussed in Ref. [55,56] VASP can correct for the leading errors, but one should stress, that in many details, we have taken a more general approach than the one outlined in Ref. [55].

The following flags control the behaviour of VASP.

For the current implementation, there are several restrictions; please read carefully:


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N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at