ABINIT Discussion Forums

Hello:

I am running a calculation with the elements sodium, germanium, and gold, and it seems that the value of kptrlen is very small even with too many kpoints. My unit cell is fairly large, but with a grid of over 100 kpoints (simple gamma-centered mesh), the kptrlen is still ~10.

I suspect that this has something to do with the gold, but I can't think why such an incredibly dense kpoint mesh would be necessary. Any ideas or suggestions?

Thank you,
Kale

I figured out that there was a problem with my input file, which made my atoms much too close together. That is why it seemed like so many kpoints were necessary.