IDIPOL and spurious electric filed
Posted: Thu Jul 19, 2007 6:42 pm
Hello,
In my case I’m investigating heterogeneous interfaces and I have system, which includes: Slab1+Slab2+Vacuum. Since Slab1 and Slab 2 have different work functions we should get spurious electric field in the vacuum due to Periodic Boundary Conditions.
If I use:
IDIPOL=3
LDIPOL= .TRUE.
should it compensate that spurious unphysical electric field ? Or I should apply additional external field to compensate it?
Thanks in advance.
In my case I’m investigating heterogeneous interfaces and I have system, which includes: Slab1+Slab2+Vacuum. Since Slab1 and Slab 2 have different work functions we should get spurious electric field in the vacuum due to Periodic Boundary Conditions.
If I use:
IDIPOL=3
LDIPOL= .TRUE.
should it compensate that spurious unphysical electric field ? Or I should apply additional external field to compensate it?
Thanks in advance.