[Wien] Regarding Relaxation Calculation in DFT+U
Shamim Sk
shamimsk20 at gmail.com
Sat Jul 20 12:05:34 CEST 2019
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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190720/aa10f43a/attachment.html>
More information about the Wien
mailing list