Dear Wien2k user As far as I know the preferred method to run mBJ is LDA or PBE. May I use PBESol to run mBJ? Regards Bhamu -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170516/8a9d8731/attachment.html>