QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: BandTheory on October 13, 2009, 22:41

Title: An error with the Monkhorst Pack Parameters
Post by: BandTheory on October 13, 2009, 22:41

Hello,

I have a question about an error I received.

"NLValueError: the monkhorst_pack_parameters set in ElectrodeParameters must be the same in the (kx,ky) plane.

From what I could find the Monkhorst Pack Parameters has to do with the Brillouin Zone Integration parameters and the sampling of k-points.

Could the problem stem from having two different kinds of electrodes ? I specified to different sets of brillouin zone integration parameters, one for each electrode.  Is that allowed?

Title: Re: An error with the Monkhorst Pack Parameters
Post by: Anders Blom on October 14, 2009, 13:42

No, that is not allowed, and that's the essence of the error message.

Title: Re: An error with the Monkhorst Pack Parameters
Post by: zh on October 14, 2009, 15:29

The lattice vectors in the x and y directions (here the transport direction is assumed to be along the z direction) for left electrodes are same to those for the right electrode. Of course, the monkhorst_pack_parameters sets for two electrodes should be same to each other.