Dear wien2k users,<br clear="all"><div><br></div><div> If we use exchange correlation potential GGA and modify case.inorb in such a way that nmod=1 and nsic=1 (SIC method, Anisimov et al) then what we are using:</div>
<div><br></div><div><b>GGA+U or self interaction corrected GGA?...or they are actually different terminology of the same thing?</b></div><div><br></div><div>I am asking this question because in a paper (PRB, vol. 74, 174431(2006)), the authors told that they have used GGA+U once and then SIC-GGA....so whether they are different?..if they are different then what is the difference?...can you please suggest some reference... </div>
<div><br></div><div>Any response will be very helpful for us. Thanks in advance.</div><div><br></div><div>with best regards,</div>-- <br>Shamik Chakrabarti<br>Senior Research Fellow<br>Dept. of Physics & Meteorology<br>
Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>