Example: Applying a homogeneous electric field¶
With the EFIELD
keyword you can specify a static electric field in the z-direction.
$ADFBIN/band << eor
DefaultsConvention 2014
Title Electric Field (field in a.u.)
EField
Unit a.u.
eZ=0.03
end
KSpace 1
Gradients
End
lattice
15.0 0.00 0.00
0.00 15.0 0.00
End
Atoms
H 0.0 0.0 0.0
Li 0.0 1.0 3.0
End
BasisDefaults
BasisType TZP
Core Large
End
end input
eor