<div>Dear PWSCF users,</div>
<div> Maybe this question is too technical but I would like to give a try.</div>
<div> There are two LSDA+U approaches in VASP. One is the so-called 'fully localized limit' developed by Anisimov, et al. In this approach you need to specify both U and J (two adjusting parameters). The other approach is a simplifed one developed by Dudarev et al (PRB 57 1505, 1998) in which there is only one parameter Ueff = U - J. </div>
<div> In PWSCF we only have one adjusting parameter Hubbard_U (Hubbard_alpha is something else). Does that mean PWSCF implements the second approach and Hubbard_U = Ueff? However from the menu INPUT_PW.txt, the references you give are the papers from Anisimov et al. Which approach do you implement?</div>
<div> If I want to reproduce some results from VASP calculation, shall I turn on Hubbard_U = U-J where U and J are the input parameters in the VASP?</div>
<div> Thank you very much.</div>
<div> </div>
<div>Hanghui Chen</div>
<div>Department of Physics</div>
<div>Yale University</div>