Dear Everyone:
After searching a lot on the dipole correction of PW and reading the
corresponding literature, I still have some confusions about the dipole
correction. Could anyone answer me?
It seems basically we need the following keywords:
tefield=.true.
dipfield=.true.
edir=
emaxpos=
eopreg=
eamp=
I don't understand the keyword of eamp. The default one is 0.001.
However, if we just need the dipole correction without adding any additional
external electric filed, the eamp should be set to 0. Is it correct? Or the
eamp should be set to an electric filed just compensating the dipole field?
If we use the default value of 0.001, does it mean we add both the
dipole correction and an external electric field?
Anyone has any idea on how to set this value?
Thank you very much.
Fenggong
