[CP2K-user] [CP2K:21211] Planar average potential along Z in &EXTERNAL_POTENTIAL

[xuan Garrett]

Dear cp2k,

I am trying to deal with the planar average potential under static electric
field, which is realized by &EXTERNAL_POTENTIAL in &DFT section, and the
dipole correction is switched on:
SURFACE_DIPOLE_CORRECTION T
SURF_DIP_DIR Z
&EXTERNAL_POTENTIAL
    FUNCTION (A/B)*Z
    VALUES [eV] 0.2 [angstrom] 1.0
    PARAMETERS A B
&END EXTERNAL_POTENTIAL

However, by checking the hartree.cube in the field of 0.2 eV/Angstrom, the
saw-tooth potential is not observable, while in VASP, the LOCPOT displays
such saw-tooth potential.

So, if there is the problem with such condition in CP2K? How to deal with
this?
[image: image.png][image: image.png]

Best regards,
Xuan

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