QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: xiaolight on June 13, 2017, 23:12

Title: analysis add on error
Post by: xiaolight on June 13, 2017, 23:12

When I try to plot the bandstructure, the bug comes out.I also attached the Py file.

Title: Re: analysis add on error
Post by: Anders Blom on June 14, 2017, 00:27

In the future, please post the actual error message, shown by clicking "Show details".
My guess is that it is caused by using "k" in the route instead of "K" which is defined in the symmetry points, although I'm surprised it even manages to run the band structure calculation without errors, in that case.
Else post the error message and also state which version of VNL is used.

I should also point out that your are trying to use hexagonal symmetry points in a rectangular lattice - you will probably not get the results you anticipate...