[Wien] LMBJ potential

[Tran, Fabien]

Hi,


It is implemented and will be available in the next release of WIEN2k (hopefully soon).


F. Tran


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Subrata Jana <subrata.jana at niser.ac.in>
Sent: Wednesday, July 29, 2020 1:45 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] LMBJ potential

Dear Wien2k developers,
Is there any progress in the implementation of the LMBJ potential in WIEN2k.

The LMBJ paper can be found here:

Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01147

Best
Subrata
--------------------------------------------------------------------------------------------------------------
SUBRATA JANA (Ph.D.)
School of Physical Sciences
National Institute of Science Education and Research (NISER), Bhubaneswar
PO- Bhimpur-Padanpur, Via- Jatni, District:- Khurda
PIN - 752050, Odisha, INDIA
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