[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.
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