ABINIT Discussion Forums

I would like to do finite electric field calculations in systems with 2D and 1D periodicity with the field E pointing perpendicular to the directions of peridicity. I would assume the position operator is well defined as the KS orbs vanish in the direction of the field. Is there a possibility to add...

Dear prof. Zwanziger,
thank you for your response, is there any way to do finite electric field caclulations for 2D systems?

Hi, I am trying to do a finite electric field calculation on system with 2D periodicity (x,y). I create a supercell (large lattice vector along z) and sample the k-space in z-direction with G-point only. The electric field is applied in z-direction, the abinit tries to evalute zero electric field be...