Dear Wien2k users, When I run Scf calculations by using pbe potential i got direct bandgap, while when i run the same using hybrid functional then I got indirect band gap. Also value of band gap in scf2hf file and bandgap obtained by bandstructure are not same. The command which i used are as follows:
1) create case.klist_band as usual 2) run_bandplothf_lapw -qtl -p 3) x spaghetti -hf -p Kindly help me to identify and resolve the error. Thank you! Peeyush Kamlesh
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