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Hello all vaspusers,

I am trying to understand how the electrostatic potential in LOCPOT output file was calculated in VASP code but it is really difficult for me to understand how this is realized in the code. Anyone has experience on this?

I guess the electrostatic potential is calculated on each grid point and calculated in reciprocal space. So this grids points should be transformed to points in FFT mesh and calculated in reciprocal space. Am I right? If so, which parts of the codes are related to the calculation of the electrostatic potential?

Thanks in advance,

azaho

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