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LRPA: local field effects on the Hartree level (RPA)


Default: LRPA= .FALSE.

Usually local field effect are included on the Hartree level only (LRPA=.TRUE.). This means that cell periodic microscopic changes of the local potential related to the change of the Hartree potential are included. If LRPA=.FALSE., however, changes of the Hartree potential and the exchange correlation potential are included. This usually increases the dielectric constants. The final values for the dielectric matrix can be found in the OUTCAR file after the lines.

 MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in RPA (Hartree))
For LRPA=.FALSE. the dielectric matrix is written after the lines:
 MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT)
The dielectric constants without local field effects is always determined (irregardless of LRPA). The piezoelectric tensors and the Born effective charges as well as the ionic contributions the to dielectric tensor are only calculated for LRPA=.FALSE.

N.B. Requests for support are to be addressed to: