[Wien] External electric field (bias)

Lukasz Plucinski lukasz.galaxy.s3 at gmail.com
Fri Oct 10 20:05:20 CEST 2025


Dear All,

I have been trying to calculate a slab of a polar semiconductor.
Unfortunately, there seems to be an effect of an electric field across the
slab.

I see that one can add external E field by including line 4 in case.in0
file: "IFIELD, EFIELD, WFIELD". I understand that my slab should be
positioned at around 1/4 of the unit cell (so, a lot of vacuum), to
make use of the zig-zag potential.

So far I calculated the slab (without E field), and I can see a ladder of
bands, instead of something resembling the "projected bulk band structure".
Is there a way to read some parameters from this slab, in order to have an
educated guess for the "IFIELD, EFIELD, WFIELD" values?

Best,
Lukasz
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