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- Fri May 25, 2018 3:37 am
- Forum: VTSTTools
- Topic: Band gap script for Hybrid functional
- Replies: 0
- Views: 18433
Hi Everyone, I have some issues related to the bandgap script while using for hybrid functionals (HSE06 and B3LYP) outputs. Please suggest solving this issue. This is the output of that script. Usage 'bandgap.pl cut=__' where __ is the maximum occupancy to consider a band unoccupied. The default is ...