[QE-users] Fwd: simulate capacitor

[ZOHRE JAVDANI]

Dear all
I have a question about pwscf calculation. I want to simulate capacitor
with 2 layers of si2bn (metal for electrode) and 1 layer of hBN ( insulator
for dielectric) . Then I want to apply electric field and calculate the
charge on electrode planes. at the end  I get capacity of capacitor with
equation c=q/v
is that correct simiulation?
and can I use from quantum espresso calculation for it?
which one of pwscf outputs is useful for calculate total charge on
electrodes?
one way that I think about it is :
1-run scf with electric field
2- run pp.x
3- run avrage .x
4- use  maximum of charge in place of electrodes planes
With kind regards,
javdani
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