Hi, What do you want to do? Combine PBEsol correlation potential with mBJ or calculate the energy with PBEsol instead of LDA (the default)?
FT On Monday 2017-05-15 21:16, Dr. K. C. Bhamu wrote:
Date: Mon, 15 May 2017 21:16:44 From: Dr. K. C. Bhamu <kcbham...@gmail.com> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at> Subject: [Wien] mBj with PBESOL 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
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