[Wien] GAP is not found in case.scf

Burhan Ahmed burhan.ahmed at aus.ac.in
Thu Jul 25 11:40:46 CEST 2024


Hello everyone , I have converged an scf run and when i try to check the band band gap using grep :GAP command , it shows nothing. I also checked both case.scf and case.scf2 file and found nothing about GAP though FER energy is available.
Any suggestion for this.

I am using wien2k_23.2 version in a HPC system. The calculation runs with 8 parallel cores.

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