ABINIT Discussion Forums

Hello,

I see that ABINIT has the ability to calculate crystals in a constant
electric field. I am wondering whether it can calculate in an
arbitrary non-homogeneous (coordinate dependent) electric field. Does
anyone know if this is possible or how it could be implemented?

Thanks
Mamikon

Dear Mamikon,

You can define sine or cosine additional potentials (or a mixture) for a well-defined
wavevector, using vprtrb and qprtrb input variables. The gradient of the potential
is the electric field ...

Best,
X.

Xavier,

Thanks! I will try it out.

-Mamikon