about dipole correction of slab model

[lgxyz]

hi,everyone, when carrying out surface caculations modeled by slabs, to cancel the meaningless dipole-dipole interations, IDIPOL should be set to 3. And should LDIPOL be also set to True? Many thanks/

[lgxyz]

Thanks! If LDIPOL was set to be true, the computational cost will be quite high. I heard someone suggested that IDIPOL=3 is enough for dipole corrections.

[Arindam Sannyal]

IDIPOL tag is to correct the energy and potential, and LDIPOL tag is to write the dipole and quadrupole corrected potential in the LOCPOT file.

cheers

[kra268]

Hello Arindam,

Just to clarify, if we do not use LDIPOL = TRUE, we would not see a 'bump on the potential line when we plot for the WF from the LOCPOT file?

Thank you!