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by santhanamoorthi
Fri May 25, 2018 3:37 am
Forum: VTSTTools
Topic: Band gap script for Hybrid functional
Replies: 0
Views: 9582

Band gap script for Hybrid functional

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 ...