Yes, you can use -min with DFT+U.

On Saturday 2019-07-20 12:05, Shamim Sk wrote:

Date: Sat, 20 Jul 2019 12:05:34
From: Shamim Sk <shamims...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] Regarding Relaxation Calculation in DFT+U

Dear Prof. P. Blaha & WIEN2k Community, 

  Can we implement the force minimization using "run_lapw -min -fc 0.5 -ec 0.0001 
-cc 0.001"  in DFT+U calculation  ?



Thank you,
Shamim Sk
IIT Mandi, HP, India.


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