[Wien] Regarding Relaxation Calculation in DFT+U

[tran at theochem.tuwien.ac.at]

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 <shamimsk20 at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at 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.
>
>
>