[Wien] mBj with PBESOL

[tran at theochem.tuwien.ac.at]

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 <kcbhamu85 at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <Wien at 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
>
>