Tellurium MGGA.TB09LDA basis set

[ramkrishna]

I think, the implemented tellurium MGGA.TB09LDA basis set is not a correct one . What I can remember that Te LDA basis set was wrong in 11.2, and may be this MGGA.TB09LDA is still not updated.  Please check that once.

Thanks
Ramkrishna

[kstokbro]

Thanks for noting this, we will look into it

[Carsten]

Hi,
the default basis set for Te is indeed faulty. As a temporary solution, use the OpenMX pseudopotential and basis set. Both can be set up in the Script Generator in VNL. Get back to us if you experience any problems or if more questions arise.

Thanks again for your notification