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
Reply-To: A Mailing list for WIEN2k users
To: wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] Regarding Relaxation Calculation in DFT+U
Dear Prof. P. Blaha
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.
___
Wien mailing list
2 matches
Mail list logo
