InAs bulk bandstructure

[voves]

I followed the tutorial for the InAs bandstructure MGGA calculation, but it results in zero bandgap. Where is my fault? Thanks

[Anders Blom]

There is a slightly confusing point about that tutorial - the part where you fit and later fix the c-value, uses FHI pseudopotentials/basis sets, while the first part (where you let c adjust itself self-consistently) is the part using the HGH basis sets. If you run it with just

exchange_correlation = MGGA.TB09LDA

and the HGH basis sets, the results look fine.

[voves]

Hi Anders, thank you for the explanation. Jan